N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine

C9H15N3 — CID 142057460

IUPACN-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine
SMILESC=NC1=C(NCNC)C=CCC1
InChIInChI=1S/C9H15N3/c1-10-7-12-9-6-4-3-5-8(9)11-2/h4,6,10,12H,2-3,5,7H2,1H3
InChIKeyAYXPWOUVIIKBLR-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.02
Rot. Bonds4

About N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine

N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine (PubChem CID 142057460) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine
PubChem CID142057460
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine
SMILESC=NC1=C(NCNC)C=CCC1
InChIInChI=1S/C9H15N3/c1-10-7-12-9-6-4-3-5-8(9)11-2/h4,6,10,12H,2-3,5,7H2,1H3
InChIKeyAYXPWOUVIIKBLR-UHFFFAOYSA-N
XLogP1.02
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N-butylcyclohexa-1,3-diene-1,2-diamine
CID 147582291
N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide
CID 23171965
N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 170641457
N-[2-(2H-1,3-benzoxazol-3-yl)cyclohexa-1,3-dien-1-yl]methanimine
CID 134409768
ethane;N-(2-methylcyclohexa-1,3-dien-1-yl)butan-2-imine
CID 144554138
N-[(Z)-cyclohex-2-en-1-ylideneamino]methanamine
CID 134883459
N-(2-aminocyclohexa-1,5-dien-1-yl)prop-2-enamide
CID 144831896
N-(2-sulfanylcyclohexa-1,3-dien-1-yl)ethanimidoyl chloride
CID 163629393
2-(2-ethoxyethoxy)-N-[[2-(methylideneamino)cyclohexa-1,3-dien-1-yl]sulfanylmethyl]ethanamine
CID 145365795
3-methyl-N-[2-(3-methylbutanoylamino)cyclohexa-1,3-dien-1-yl]butanamide
CID 66796071
ethyl N-(2-hydroxycyclohexa-1,5-dien-1-yl)carbamate
CID 173255083
ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide
CID 178170821

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine?
The IUPAC name of N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine (CID 142057460) is N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine.
What is the SMILES notation for N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine?
The canonical SMILES for N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine is C=NC1=C(NCNC)C=CCC1.
What is the InChIKey of N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine?
The InChIKey is AYXPWOUVIIKBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-10-7-12-9-6-4-3-5-8(9)11-2/h4,6,10,12H,2-3,5,7H2,1H3.
What are the key properties of N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine?
N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine has a molecular weight of 165.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(methylideneamino)cyclohexa-1,5-dien-1-yl]methanediamine is sourced from PubChem (CID 142057460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).