(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine

C10H19N — CID 145102925

IUPAC(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)NCC(C)C
InChIInChI=1S/C10H19N/c1-5-6-7-10(4)11-8-9(2)3/h6-7,9,11H,4-5,8H2,1-3H3/b7-6-
InChIKeyVDGDBOVFPWOEDM-SREVYHEPSA-N
MW153.27 g/mol
LogP2.71
Rot. Bonds5

About (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine

(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine (PubChem CID 145102925) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine
PubChem CID145102925
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)NCC(C)C
InChIInChI=1S/C10H19N/c1-5-6-7-10(4)11-8-9(2)3/h6-7,9,11H,4-5,8H2,1-3H3/b7-6-
InChIKeyVDGDBOVFPWOEDM-SREVYHEPSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.71
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)-N-(2-methylpropyl)hexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine (CID 145102925) is (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine is C=C(/C=C\CC)NCC(C)C.
What is the InChIKey of (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine?
The InChIKey is VDGDBOVFPWOEDM-SREVYHEPSA-N. The full InChI is InChI=1S/C10H19N/c1-5-6-7-10(4)11-8-9(2)3/h6-7,9,11H,4-5,8H2,1-3H3/b7-6-.
What are the key properties of (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine?
(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine is sourced from PubChem (CID 145102925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).