(1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine

C15H25N3 — CID 123908355

IUPAC(1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine
SMILES[H]/N=C/N1CCN(C(C)CC)C(=C)C=CC=CC1C
InChIInChI=1S/C15H25N3/c1-5-13(2)18-11-10-17(12-16)14(3)8-6-7-9-15(18)4/h6-9,12-14,16H,4-5,10-11H2,1-3H3/b8-6?,9-7?,16-12+
InChIKeyRMDRPWXPTRKALJ-IGWDTYJXSA-N
MW247.39 g/mol
LogP3.02
Rot. Bonds3

About (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine

(1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine (PubChem CID 123908355) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine.

Molecular Properties

Compound Name(1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine
PubChem CID123908355
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine
SMILES[H]/N=C/N1CCN(C(C)CC)C(=C)C=CC=CC1C
InChIInChI=1S/C15H25N3/c1-5-13(2)18-11-10-17(12-16)14(3)8-6-7-9-15(18)4/h6-9,12-14,16H,4-5,10-11H2,1-3H3/b8-6?,9-7?,16-12+
InChIKeyRMDRPWXPTRKALJ-IGWDTYJXSA-N
XLogP3.02
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-octa-1,3,6-trien-2-ylmethanimidamide
CID 123701301
N-(3-aminoprop-1-en-2-yl)-N-[(2E,4Z)-2-ethenyl-4-methylhepta-2,4,6-trienyl]methanimidamide;ethane
CID 141995687
N-(3-aminoprop-1-en-2-yl)-N-[(2E,4Z)-2-ethenyl-4-methylhepta-2,4,6-trienyl]methanimidamide
CID 141995688

Frequently Asked Questions

What is the IUPAC name of (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine?
The IUPAC name of (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine (CID 123908355) is (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine.
What is the SMILES notation for (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine?
The canonical SMILES for (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine is [H]/N=C/N1CCN(C(C)CC)C(=C)C=CC=CC1C.
What is the InChIKey of (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine?
The InChIKey is RMDRPWXPTRKALJ-IGWDTYJXSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-13(2)18-11-10-17(12-16)14(3)8-6-7-9-15(18)4/h6-9,12-14,16H,4-5,10-11H2,1-3H3/b8-6?,9-7?,16-12+.
What are the key properties of (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine?
(1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine has a molecular weight of 247.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yl-5-methyl-10-methylidene-3,5-dihydro-2H-1,4-diazecin-4-yl)methanimine is sourced from PubChem (CID 123908355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).