(Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine

C21H42N2 — CID 166735088

IUPAC(Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine
SMILESCCC(C)CC/C=C/C(C)NC(C/C(C)=C(/C)CC(C)C)NC
InChIInChI=1S/C21H42N2/c1-9-17(4)12-10-11-13-20(7)23-21(22-8)15-19(6)18(5)14-16(2)3/h11,13,16-17,20-23H,9-10,12,14-15H2,1-8H3/b13-11+,19-18-
InChIKeyYUUQRJTVSHNRMF-UORIEYFGSA-N
MW322.58 g/mol
LogP5.67
Rot. Bonds12

About (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine

(Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine (PubChem CID 166735088) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine
PubChem CID166735088
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name(Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine
SMILESCCC(C)CC/C=C/C(C)NC(C/C(C)=C(/C)CC(C)C)NC
InChIInChI=1S/C21H42N2/c1-9-17(4)12-10-11-13-20(7)23-21(22-8)15-19(6)18(5)14-16(2)3/h11,13,16-17,20-23H,9-10,12,14-15H2,1-8H3/b13-11+,19-18-
InChIKeyYUUQRJTVSHNRMF-UORIEYFGSA-N
XLogP5.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940470
(6S)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940473
butane;1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine
CID 54472086
N'-(4-methylcyclohex-2-en-1-yl)methanediamine
CID 68263628
(6R)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 69669097
1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine
CID 91034521
5-tert-butyl-N,2-dimethyl-4-methylidene-N-(2,2,6,6,7-pentamethyloct-7-en-4-yl)-2,3,5,8-tetrahydro-1H-azocin-8-amine
CID 91389775
(9aS)-2-(5-methylcyclohex-2-en-1-yl)-2,3,4,5,7,8,9,9a-octahydro-1H-1,3-benzodiazepine
CID 118311917
N'-but-3-en-2-yl-N-(2-but-2-enyl-3-ethylhex-4-enyl)methanediamine
CID 123573653
1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine
CID 123832821
7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine
CID 123959167
N-butan-2-yl-3-ethyl-5,9-dimethyl-1,2,3,4,5,6,9,10-octahydroazecin-2-amine
CID 124034470

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine?
The IUPAC name of (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine (CID 166735088) is (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine.
What is the SMILES notation for (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine?
The canonical SMILES for (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine is CCC(C)CC/C=C/C(C)NC(C/C(C)=C(/C)CC(C)C)NC.
What is the InChIKey of (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine?
The InChIKey is YUUQRJTVSHNRMF-UORIEYFGSA-N. The full InChI is InChI=1S/C21H42N2/c1-9-17(4)12-10-11-13-20(7)23-21(22-8)15-19(6)18(5)14-16(2)3/h11,13,16-17,20-23H,9-10,12,14-15H2,1-8H3/b13-11+,19-18-.
What are the key properties of (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine?
(Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine has a molecular weight of 322.58 g/mol, XLogP of 5.67, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine is sourced from PubChem (CID 166735088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).