(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine

C10H19N — CID 129269311

IUPAC(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine
SMILESC=C(N)/C=C(/CCC)C(C)C
InChIInChI=1S/C10H19N/c1-5-6-10(8(2)3)7-9(4)11/h7-8H,4-6,11H2,1-3H3/b10-7-
InChIKeyDEEILHGLIMTYIC-YFHOEESVSA-N
MW153.27 g/mol
LogP2.84
Rot. Bonds4

About (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine

(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine (PubChem CID 129269311) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine
PubChem CID129269311
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine
SMILESC=C(N)/C=C(/CCC)C(C)C
InChIInChI=1S/C10H19N/c1-5-6-10(8(2)3)7-9(4)11/h7-8H,4-6,11H2,1-3H3/b10-7-
InChIKeyDEEILHGLIMTYIC-YFHOEESVSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine (CID 129269311) is (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine is C=C(N)/C=C(/CCC)C(C)C.
What is the InChIKey of (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine?
The InChIKey is DEEILHGLIMTYIC-YFHOEESVSA-N. The full InChI is InChI=1S/C10H19N/c1-5-6-10(8(2)3)7-9(4)11/h7-8H,4-6,11H2,1-3H3/b10-7-.
What are the key properties of (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine?
(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-propan-2-ylhepta-1,3-dien-2-amine is sourced from PubChem (CID 129269311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).