N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine

C9H17N3 — CID 174273168

IUPACN-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine
SMILESC=N/C(=C\C=NCNC)C(C)C
InChIInChI=1S/C9H17N3/c1-8(2)9(11-4)5-6-12-7-10-3/h5-6,8,10H,4,7H2,1-3H3/b9-5-,12-6?
InChIKeyIWIJELMHXHPZNO-CDZVIQFASA-N
MW167.26 g/mol
LogP1.47
Rot. Bonds5

About N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine

N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine (PubChem CID 174273168) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine
PubChem CID174273168
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine
SMILESC=N/C(=C\C=NCNC)C(C)C
InChIInChI=1S/C9H17N3/c1-8(2)9(11-4)5-6-12-7-10-3/h5-6,8,10H,4,7H2,1-3H3/b9-5-,12-6?
InChIKeyIWIJELMHXHPZNO-CDZVIQFASA-N
XLogP1.47
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine
CID 155204254
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
2-methylidene-6-propan-2-yl-1H-pyrimidine
CID 89965674
(Z)-3-[(Z)-4-methylpent-2-en-3-yl]iminoprop-1-en-1-amine
CID 129212088
(Z,4Z)-4-[1-(methylamino)ethylimino]pent-2-en-2-amine
CID 141805811
butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine
CID 142002461
3-[(Z)-4-methylpent-2-en-3-yl]iminoprop-1-en-2-amine
CID 142207792
(Z)-N-ethyl-2-[[(E)-4-methylpent-2-enylidene]amino]prop-1-en-1-amine
CID 142498983
3-methyl-N-propyl-2,3-dihydropyridin-4-amine
CID 143106734
N,4-dimethyl-4H-azepin-2-amine
CID 143729063
ethane;(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine
CID 144521909
(Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane
CID 145278570

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine?
The IUPAC name of N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine (CID 174273168) is N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine.
What is the SMILES notation for N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine?
The canonical SMILES for N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine is C=N/C(=C\C=NCNC)C(C)C.
What is the InChIKey of N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine?
The InChIKey is IWIJELMHXHPZNO-CDZVIQFASA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)9(11-4)5-6-12-7-10-3/h5-6,8,10H,4,7H2,1-3H3/b9-5-,12-6?.
What are the key properties of N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine?
N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine is sourced from PubChem (CID 174273168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).