(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine

C11H21N — CID 166807119

IUPAC(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine
SMILESC=C/C(=C\CNC(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-6-11(9(2)3)7-8-12-10(4)5/h6-7,9-10,12H,1,8H2,2-5H3/b11-7+
InChIKeyBQPSJGYRZXXRNN-YRNVUSSQSA-N
MW167.30 g/mol
LogP2.75
Rot. Bonds5

About (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine

(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine (PubChem CID 166807119) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine
PubChem CID166807119
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine
SMILESC=C/C(=C\CNC(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-6-11(9(2)3)7-8-12-10(4)5/h6-7,9-10,12H,1,8H2,2-5H3/b11-7+
InChIKeyBQPSJGYRZXXRNN-YRNVUSSQSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.75
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 (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine (CID 166807119) is (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine is C=C/C(=C\CNC(C)C)C(C)C.
What is the InChIKey of (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine?
The InChIKey is BQPSJGYRZXXRNN-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H21N/c1-6-11(9(2)3)7-8-12-10(4)5/h6-7,9-10,12H,1,8H2,2-5H3/b11-7+.
What are the key properties of (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine?
(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine is sourced from PubChem (CID 166807119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).