(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine

C11H19N — CID 166854206

IUPAC(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine
SMILESC=CC(=C)/C=C\NCC(C)CC
InChIInChI=1S/C11H19N/c1-5-10(3)7-8-12-9-11(4)6-2/h5,7-8,11-12H,1,3,6,9H2,2,4H3/b8-7-
InChIKeySJCFTIVSLFTPRM-FPLPWBNLSA-N
MW165.28 g/mol
LogP2.88
Rot. Bonds6

About (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine

(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine (PubChem CID 166854206) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine
PubChem CID166854206
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine
SMILESC=CC(=C)/C=C\NCC(C)CC
InChIInChI=1S/C11H19N/c1-5-10(3)7-8-12-9-11(4)6-2/h5,7-8,11-12H,1,3,6,9H2,2,4H3/b8-7-
InChIKeySJCFTIVSLFTPRM-FPLPWBNLSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.88
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

2-methyl-N-[(Z)-prop-1-enyl]butan-1-amine
CID 142155294
1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine
CID 163600047
2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
CID 101446483
(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine
CID 166970711
ethane;3-methylheptane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217493
1-N-[(1Z)-buta-1,3-dienyl]propane-1,2-diamine
CID 167296665
3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine
CID 129035749
11-methyltridec-1-ene
CID 528465
14-methylhexadec-1-ene
CID 86185732
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
2-methyl-N-phosphanylbutan-1-amine
CID 88977726
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine?
The IUPAC name of (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine (CID 166854206) is (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine?
The canonical SMILES for (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine is C=CC(=C)/C=C\NCC(C)CC.
What is the InChIKey of (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine?
The InChIKey is SJCFTIVSLFTPRM-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10(3)7-8-12-9-11(4)6-2/h5,7-8,11-12H,1,3,6,9H2,2,4H3/b8-7-.
What are the key properties of (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine?
(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine is sourced from PubChem (CID 166854206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).