(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine

C12H23N — CID 167054531

IUPAC(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
SMILESC/C=C\C(=C/CCCC)CN(C)C
InChIInChI=1S/C12H23N/c1-5-7-8-10-12(9-6-2)11-13(3)4/h6,9-10H,5,7-8,11H2,1-4H3/b9-6-,12-10+
InChIKeyVZWUAAIRSGUWDI-QTJHGLNVSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds6

About (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine

(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine (PubChem CID 167054531) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
PubChem CID167054531
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
SMILESC/C=C\C(=C/CCCC)CN(C)C
InChIInChI=1S/C12H23N/c1-5-7-8-10-12(9-6-2)11-13(3)4/h6,9-10H,5,7-8,11H2,1-4H3/b9-6-,12-10+
InChIKeyVZWUAAIRSGUWDI-QTJHGLNVSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 156713234
4-methylnona-2,4-diene
CID 123785331
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
[(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane
CID 145156666
(E,4Z)-4-(chloromethylidene)non-2-ene
CID 134863990
hept-2-ene;methanol
CID 135236025
2-prop-1-enylundec-2-enoic acid
CID 142785547
N',N',2-trimethylhept-2-enehydrazide
CID 151463961
(Z)-2-ethylhept-2-en-1-imine
CID 146336575
2-pentylideneoctanal
CID 57053473

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine (CID 167054531) is (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine is C/C=C\C(=C/CCCC)CN(C)C.
What is the InChIKey of (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine?
The InChIKey is VZWUAAIRSGUWDI-QTJHGLNVSA-N. The full InChI is InChI=1S/C12H23N/c1-5-7-8-10-12(9-6-2)11-13(3)4/h6,9-10H,5,7-8,11H2,1-4H3/b9-6-,12-10+.
What are the key properties of (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine?
(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine is sourced from PubChem (CID 167054531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).