N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine

C9H17N — CID 153204423

IUPACN-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine
SMILESC=C/C=C\NCCC(C)C
InChIInChI=1S/C9H17N/c1-4-5-7-10-8-6-9(2)3/h4-5,7,9-10H,1,6,8H2,2-3H3/b7-5-
InChIKeyWKNPTSIRAKVEGH-ALCCZGGFSA-N
MW139.24 g/mol
LogP2.32
Rot. Bonds5

About N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine

N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine (PubChem CID 153204423) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine
PubChem CID153204423
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine
SMILESC=C/C=C\NCCC(C)C
InChIInChI=1S/C9H17N/c1-4-5-7-10-8-6-9(2)3/h4-5,7,9-10H,1,6,8H2,2-3H3/b7-5-
InChIKeyWKNPTSIRAKVEGH-ALCCZGGFSA-N
XLogP2.32
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 ≤ 52.32
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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Related Compounds

1-N-[(1Z)-buta-1,3-dienyl]propane-1,2-diamine
CID 167296665
N'-buta-1,3-dienyl-N-methylmethanediamine
CID 163705888
(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine
CID 153393660
(1Z,3Z)-N-butylhexa-1,3,5-trien-1-amine
CID 89185045
(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
11-methyldodeca-1,3-diene
CID 154156925
(3Z)-8-methyl-5-methylidenenona-1,3-diene
CID 143490392
3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine
CID 148613615
(2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine
CID 146687840
N-[(1E)-buta-1,3-dienyl]-2-methylpropanamide
CID 89223729
6,10,14-trimethylpentadeca-1,3,5-triene
CID 154255847

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine (CID 153204423) is N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine is C=C/C=C\NCCC(C)C.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine?
The InChIKey is WKNPTSIRAKVEGH-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-7-10-8-6-9(2)3/h4-5,7,9-10H,1,6,8H2,2-3H3/b7-5-.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine?
N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine is sourced from PubChem (CID 153204423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).