N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine

C8H16N2 — CID 123985656

IUPACN-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
SMILESC/C=C\C(C)=N\CCNC
InChIInChI=1S/C8H16N2/c1-4-5-8(2)10-7-6-9-3/h4-5,9H,6-7H2,1-3H3/b5-4-,10-8+
InChIKeyFLZPDBHNUCPSCY-BTCMVDHLSA-N
MW140.23 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine

N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine (PubChem CID 123985656) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
PubChem CID123985656
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
SMILESC/C=C\C(C)=N\CCNC
InChIInChI=1S/C8H16N2/c1-4-5-8(2)10-7-6-9-3/h4-5,9H,6-7H2,1-3H3/b5-4-,10-8+
InChIKeyFLZPDBHNUCPSCY-BTCMVDHLSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,9,11-Tetramethyl-1,5,8,12-tetraazacyclotetradeca-1,3,9,11-tetraene
CID 10890274
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124
N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine
CID 162408251
5,7,12,14-Tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene
CID 66661341
(2E,6Z,9E,13Z)-5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478667
(2Z,6Z,9Z,13Z)-5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478668
5,7,12,14-Tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478671
N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443
N-ethyl-4-methyliminopent-2-en-2-amine
CID 76225419
N-(2-(N,N-dimethylamino)ethyl)-4-(2-(N,N-dimethylamino)ethylimino)-2-penten-2-amine
CID 86643204
N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 87437605

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine?
The IUPAC name of N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine (CID 123985656) is N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine.
What is the SMILES notation for N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine?
The canonical SMILES for N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine is C/C=C\C(C)=N\CCNC.
What is the InChIKey of N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine?
The InChIKey is FLZPDBHNUCPSCY-BTCMVDHLSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-8(2)10-7-6-9-3/h4-5,9H,6-7H2,1-3H3/b5-4-,10-8+.
What are the key properties of N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine?
N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine has a molecular weight of 140.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine is sourced from PubChem (CID 123985656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).