(2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine

C11H21N — CID 89199351

IUPAC(2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine
SMILESC=C(/C=C\C)N[C@@H](C)CC(C)C
InChIInChI=1S/C11H21N/c1-6-7-10(4)12-11(5)8-9(2)3/h6-7,9,11-12H,4,8H2,1-3,5H3/b7-6-/t11-/m0/s1
InChIKeyRPJUMPLYUPWEJW-ZADCQDASSA-N
MW167.30 g/mol
LogP3.10
Rot. Bonds5

About (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine

(2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine (PubChem CID 89199351) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine
PubChem CID89199351
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine
SMILESC=C(/C=C\C)N[C@@H](C)CC(C)C
InChIInChI=1S/C11H21N/c1-6-7-10(4)12-11(5)8-9(2)3/h6-7,9,11-12H,4,8H2,1-3,5H3/b7-6-/t11-/m0/s1
InChIKeyRPJUMPLYUPWEJW-ZADCQDASSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbutan-1-amine
CID 138645563
(3S)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbutan-1-amine
CID 173888635
(3Z,5E)-7-fluoro-5-N-methyl-2-N-(2-methylbutyl)hepta-1,3,5-triene-2,5-diamine
CID 142931699
4-methyl-N-prop-2-enylpentan-2-amine
CID 43189556
(3E,5E)-N-butan-2-ylhepta-1,3,5-trien-2-amine
CID 88969833
4-methyl-N-prop-1-en-2-ylpentan-2-amine
CID 89013130
N'-[(3E,5E)-hepta-1,3,5-trien-4-yl]pentane-1,5-diamine
CID 89209429
(3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine
CID 89412153
N-buta-1,3-dien-2-yl-4-methylpentan-2-amine
CID 89738680
(3E)-6-methyl-N-(2-methylpropyl)hepta-1,3,5-trien-3-amine
CID 90227530
N-buta-1,3-dien-2-yl-3-methylbutan-1-amine
CID 126513733
3,4-dimethyl-7-methylidene-2-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydroazepine
CID 129144732

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine (CID 89199351) is (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine is C=C(/C=C\C)N[C@@H](C)CC(C)C.
What is the InChIKey of (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine?
The InChIKey is RPJUMPLYUPWEJW-ZADCQDASSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-10(4)12-11(5)8-9(2)3/h6-7,9,11-12H,4,8H2,1-3,5H3/b7-6-/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine?
(2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]pentan-2-amine is sourced from PubChem (CID 89199351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).