(Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine

C9H16N2 — CID 130450472

IUPAC(Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine
SMILESC=N/C=C\C(=C/C)CCNC
InChIInChI=1S/C9H16N2/c1-4-9(5-7-10-2)6-8-11-3/h4-5,7,11H,2,6,8H2,1,3H3/b7-5-,9-4+
InChIKeyCPCKFBQEIWLGLM-YQDRFQIPSA-N
MW152.24 g/mol
LogP1.76
Rot. Bonds5

About (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine

(Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine (PubChem CID 130450472) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine
PubChem CID130450472
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine
SMILESC=N/C=C\C(=C/C)CCNC
InChIInChI=1S/C9H16N2/c1-4-9(5-7-10-2)6-8-11-3/h4-5,7,11H,2,6,8H2,1,3H3/b7-5-,9-4+
InChIKeyCPCKFBQEIWLGLM-YQDRFQIPSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,7Z,9Z)-N-[(1E,5E)-3,4-difluoro-6-(methylideneamino)hexa-1,5-dienyl]-5-ethenyl-2,9-dimethyl-6-methylideneundeca-2,4,7,9-tetraen-1-amine
CID 144356857
(Z,3Z)-N'-fluoro-N,N'-dimethyl-3-prop-2-enylidenepent-1-ene-1,5-diamine
CID 153352847
methylidene(propan-2-yl)azanium;N,5,6-trimethylhepta-1,3,5-trien-1-amine
CID 53897608
N,5-dimethylundeca-1,3,5,7-tetraen-1-amine
CID 59958515
4-hexylidene-2,3-dihydro-1H-pyridine
CID 67667843
N-methyl-2-[(1E,3Z,5Z)-5-methylhepta-1,3,5-trienyl]iminoethanamine
CID 88538338
(3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine
CID 89049676
(1Z,6Z)-N,N-dimethyl-8-methylidenedeca-1,6-diene-1,10-diamine
CID 89073956
(1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine
CID 89167719
(Z,3Z)-3-ethylidene-N-methylhex-4-en-1-amine
CID 89189015
(Z,3E)-N',2-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine
CID 89218786
(Z,3E)-4-N-methyl-3-prop-2-enylidenepent-1-ene-1,4-diamine
CID 89218800

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine (CID 130450472) is (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine is C=N/C=C\C(=C/C)CCNC.
What is the InChIKey of (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine?
The InChIKey is CPCKFBQEIWLGLM-YQDRFQIPSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-9(5-7-10-2)6-8-11-3/h4-5,7,11H,2,6,8H2,1,3H3/b7-5-,9-4+.
What are the key properties of (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine?
(Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine is sourced from PubChem (CID 130450472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).