(Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol

C25H45N5O4 — CID 155745574

IUPAC(Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol
SMILESC=O.CNC/C(=C(/N)c1ccc(C)c(C)n1)N(C)N.CO.O=CC1C2CCCC12.OC1CCC1
InChIInChI=1S/C12H21N5.C7H10O.C4H8O.CH4O.CH2O/c1-8-5-6-10(16-9(8)2)12(13)11(7-15-3)17(4)14;8-4-7-5-2-1-3-6(5)7;5-4-2-1-3-4;2*1-2/h5-6,15H,7,13-14H2,1-4H3;4-7H,1-3H2;4-5H,1-3H2;2H,1H3;1H2/b12-11-;;;;
InChIKeyDGQBRHDCZLNRLM-VVSWMDIWSA-N
MW479.67 g/mol
LogP1.54
Rot. Bonds5

About (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol

(Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol (PubChem CID 155745574) has the molecular formula C25H45N5O4 and a molecular weight of 479.67 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol
PubChem CID155745574
Molecular FormulaC25H45N5O4
Molecular Weight479.67 g/mol
Exact Mass479.35
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol
SMILESC=O.CNC/C(=C(/N)c1ccc(C)c(C)n1)N(C)N.CO.O=CC1C2CCCC12.OC1CCC1
InChIInChI=1S/C12H21N5.C7H10O.C4H8O.CH4O.CH2O/c1-8-5-6-10(16-9(8)2)12(13)11(7-15-3)17(4)14;8-4-7-5-2-1-3-6(5)7;5-4-2-1-3-4;2*1-2/h5-6,15H,7,13-14H2,1-4H3;4-7H,1-3H2;4-5H,1-3H2;2H,1H3;1H2/b12-11-;;;;
InChIKeyDGQBRHDCZLNRLM-VVSWMDIWSA-N
XLogP1.54
TPSA154.80 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol (CID 155745574) is (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol is C=O.CNC/C(=C(/N)c1ccc(C)c(C)n1)N(C)N.CO.O=CC1C2CCCC12.OC1CCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol?
The InChIKey is DGQBRHDCZLNRLM-VVSWMDIWSA-N. The full InChI is InChI=1S/C12H21N5.C7H10O.C4H8O.CH4O.CH2O/c1-8-5-6-10(16-9(8)2)12(13)11(7-15-3)17(4)14;8-4-7-5-2-1-3-6(5)7;5-4-2-1-3-4;2*1-2/h5-6,15H,7,13-14H2,1-4H3;4-7H,1-3H2;4-5H,1-3H2;2H,1H3;1H2/b12-11-;;;;.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol?
(Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol has a molecular weight of 479.67 g/mol, XLogP of 1.54, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]-1-(5,6-dimethyl-2-pyridinyl)-N'-methylprop-1-ene-1,3-diamine;bicyclo[3.1.0]hexane-6-carbaldehyde;cyclobutanol;formaldehyde;methanol is sourced from PubChem (CID 155745574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).