(2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine

C9H17N — CID 89209995

IUPAC(2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine
SMILESC=C(C)/C=C\CNCCC
InChIInChI=1S/C9H17N/c1-4-7-10-8-5-6-9(2)3/h5-6,10H,2,4,7-8H2,1,3H3/b6-5-
InChIKeySPUXHEZVBDTMFG-WAYWQWQTSA-N
MW139.24 g/mol
LogP2.12
Rot. Bonds5

About (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine

(2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine (PubChem CID 89209995) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine
PubChem CID89209995
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine
SMILESC=C(C)/C=C\CNCCC
InChIInChI=1S/C9H17N/c1-4-7-10-8-5-6-9(2)3/h5-6,10H,2,4,7-8H2,1,3H3/b6-5-
InChIKeySPUXHEZVBDTMFG-WAYWQWQTSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine (CID 89209995) is (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine is C=C(C)/C=C\CNCCC.
What is the InChIKey of (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine?
The InChIKey is SPUXHEZVBDTMFG-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-10-8-5-6-9(2)3/h5-6,10H,2,4,7-8H2,1,3H3/b6-5-.
What are the key properties of (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine?
(2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methyl-N-propylpenta-2,4-dien-1-amine is sourced from PubChem (CID 89209995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).