N-pent-4-enylpenta-3,4-dien-2-amine

C10H17N — CID 123232728

IUPACN-pent-4-enylpenta-3,4-dien-2-amine
SMILESC=C=CC(C)NCCCC=C
InChIInChI=1S/C10H17N/c1-4-6-7-9-11-10(3)8-5-2/h4,8,10-11H,1-2,6-7,9H2,3H3
InChIKeyHDVIMPCTLFPBIW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.27
Rot. Bonds6

About N-pent-4-enylpenta-3,4-dien-2-amine

N-pent-4-enylpenta-3,4-dien-2-amine (PubChem CID 123232728) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-pent-4-enylpenta-3,4-dien-2-amine.

Molecular Properties

Compound NameN-pent-4-enylpenta-3,4-dien-2-amine
PubChem CID123232728
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-pent-4-enylpenta-3,4-dien-2-amine
SMILESC=C=CC(C)NCCCC=C
InChIInChI=1S/C10H17N/c1-4-6-7-9-11-10(3)8-5-2/h4,8,10-11H,1-2,6-7,9H2,3H3
InChIKeyHDVIMPCTLFPBIW-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(pent-4-enylamino)propanoic acid
CID 83194010
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
1-N-ethyl-2-N-pent-4-enylpropane-1,2-diamine
CID 116674130
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
N-ethenylpent-4-en-1-amine
CID 142515999
N-but-3-en-2-ylhex-5-yn-1-amine
CID 106211402
2-(hept-6-enylamino)-3-methylbutanoic acid
CID 74955502
CID 12955931
CID 12955931
ethane;N-prop-2-enylpent-4-en-1-amine
CID 144890480
N-(2-methylpropoxy)hept-6-en-1-amine
CID 107007042
2-[4-[1-(pent-4-enylamino)ethyl]phenoxy]acetonitrile
CID 113350674
12-propan-2-yltricosa-1,22-diene
CID 102161324

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enylpenta-3,4-dien-2-amine?
The IUPAC name of N-pent-4-enylpenta-3,4-dien-2-amine (CID 123232728) is N-pent-4-enylpenta-3,4-dien-2-amine.
What is the SMILES notation for N-pent-4-enylpenta-3,4-dien-2-amine?
The canonical SMILES for N-pent-4-enylpenta-3,4-dien-2-amine is C=C=CC(C)NCCCC=C.
What is the InChIKey of N-pent-4-enylpenta-3,4-dien-2-amine?
The InChIKey is HDVIMPCTLFPBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-7-9-11-10(3)8-5-2/h4,8,10-11H,1-2,6-7,9H2,3H3.
What are the key properties of N-pent-4-enylpenta-3,4-dien-2-amine?
N-pent-4-enylpenta-3,4-dien-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enylpenta-3,4-dien-2-amine is sourced from PubChem (CID 123232728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).