N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine

C11H18N2 — CID 174371339

IUPACN-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine
SMILESC=C(C)N(C)C(=C)N=C(C)/C=C\C
InChIInChI=1S/C11H18N2/c1-7-8-10(4)12-11(5)13(6)9(2)3/h7-8H,2,5H2,1,3-4,6H3/b8-7-,12-10?
InChIKeyLWQPPPAZMCGHKU-FIWSIPJWSA-N
MW178.28 g/mol
LogP2.96
Rot. Bonds4

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

N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine (PubChem CID 174371339) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine
PubChem CID174371339
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine
SMILESC=C(C)N(C)C(=C)N=C(C)/C=C\C
InChIInChI=1S/C11H18N2/c1-7-8-10(4)12-11(5)13(6)9(2)3/h7-8H,2,5H2,1,3-4,6H3/b8-7-,12-10?
InChIKeyLWQPPPAZMCGHKU-FIWSIPJWSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine?
The IUPAC name of N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine (CID 174371339) is N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine is C=C(C)N(C)C(=C)N=C(C)/C=C\C.
What is the InChIKey of N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine?
The InChIKey is LWQPPPAZMCGHKU-FIWSIPJWSA-N. The full InChI is InChI=1S/C11H18N2/c1-7-8-10(4)12-11(5)13(6)9(2)3/h7-8H,2,5H2,1,3-4,6H3/b8-7-,12-10?.
What are the key properties of N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine?
N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 174371339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).