(1E)-N-prop-2-enylhexa-1,5-dien-1-amine

C9H15N — CID 152929673

IUPAC(1E)-N-prop-2-enylhexa-1,5-dien-1-amine
SMILESC=CCC/C=C/NCC=C
InChIInChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h3-4,7,9-10H,1-2,5-6,8H2/b9-7+
InChIKeyUKSINQOFILULLI-VQHVLOKHSA-N
MW137.23 g/mol
LogP2.24
Rot. Bonds6

About (1E)-N-prop-2-enylhexa-1,5-dien-1-amine

(1E)-N-prop-2-enylhexa-1,5-dien-1-amine (PubChem CID 152929673) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1E)-N-prop-2-enylhexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-prop-2-enylhexa-1,5-dien-1-amine
PubChem CID152929673
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1E)-N-prop-2-enylhexa-1,5-dien-1-amine
SMILESC=CCC/C=C/NCC=C
InChIInChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h3-4,7,9-10H,1-2,5-6,8H2/b9-7+
InChIKeyUKSINQOFILULLI-VQHVLOKHSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylhex-1-en-1-amine
CID 173041901
(5E)-deca-1,5,9-triene
CID 5362636
N-[(Z)-2-hydrazinylethenyl]prop-2-en-1-amine
CID 145230073
1-fluorohexa-1,5-diene
CID 154126554
8-methylnona-1,5-diene
CID 54303226
(5E)-nona-1,5-diene
CID 6429608
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
pent-4-enal
CID 16418
ethane;N-prop-2-enylpent-4-en-1-amine
CID 144890480
heptadeca-12,16-dienal
CID 141026254
N-(2-phenylethenyl)prop-2-en-1-amine
CID 66696805
ethane;(5Z)-hepta-1,5-diene;hydrochloride
CID 143911102

Frequently Asked Questions

What is the IUPAC name of (1E)-N-prop-2-enylhexa-1,5-dien-1-amine?
The IUPAC name of (1E)-N-prop-2-enylhexa-1,5-dien-1-amine (CID 152929673) is (1E)-N-prop-2-enylhexa-1,5-dien-1-amine.
What is the SMILES notation for (1E)-N-prop-2-enylhexa-1,5-dien-1-amine?
The canonical SMILES for (1E)-N-prop-2-enylhexa-1,5-dien-1-amine is C=CCC/C=C/NCC=C.
What is the InChIKey of (1E)-N-prop-2-enylhexa-1,5-dien-1-amine?
The InChIKey is UKSINQOFILULLI-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h3-4,7,9-10H,1-2,5-6,8H2/b9-7+.
What are the key properties of (1E)-N-prop-2-enylhexa-1,5-dien-1-amine?
(1E)-N-prop-2-enylhexa-1,5-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-prop-2-enylhexa-1,5-dien-1-amine is sourced from PubChem (CID 152929673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).