2-methyl-N-prop-2-enylpent-1-en-1-amine

C9H17N — CID 174914836

IUPAC2-methyl-N-prop-2-enylpent-1-en-1-amine
SMILESC=CCNC=C(C)CCC
InChIInChI=1S/C9H17N/c1-4-6-9(3)8-10-7-5-2/h5,8,10H,2,4,6-7H2,1,3H3
InChIKeyGHVZRHDBUCVFLL-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-N-prop-2-enylpent-1-en-1-amine

2-methyl-N-prop-2-enylpent-1-en-1-amine (PubChem CID 174914836) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpent-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpent-1-en-1-amine
PubChem CID174914836
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-N-prop-2-enylpent-1-en-1-amine
SMILESC=CCNC=C(C)CCC
InChIInChI=1S/C9H17N/c1-4-6-9(3)8-10-7-5-2/h5,8,10H,2,4,6-7H2,1,3H3
InChIKeyGHVZRHDBUCVFLL-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

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CID 142898519
N-[(E)-2-methylpent-1-enyl]methanimine
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1-iodo-2-methylpent-1-ene
CID 73232688
N-prop-2-enylhex-1-en-1-amine
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(Z)-2-[amino(2-oxohexyl)amino]-3-(prop-2-enylamino)prop-2-enenitrile
CID 163410689
methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium
CID 142029528
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923
(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180
(3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene
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4-methyl-7-methylidenedec-4-ene
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N-prop-2-enyloctanamide
CID 4071942

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpent-1-en-1-amine?
The IUPAC name of 2-methyl-N-prop-2-enylpent-1-en-1-amine (CID 174914836) is 2-methyl-N-prop-2-enylpent-1-en-1-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enylpent-1-en-1-amine?
The canonical SMILES for 2-methyl-N-prop-2-enylpent-1-en-1-amine is C=CCNC=C(C)CCC.
What is the InChIKey of 2-methyl-N-prop-2-enylpent-1-en-1-amine?
The InChIKey is GHVZRHDBUCVFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-9(3)8-10-7-5-2/h5,8,10H,2,4,6-7H2,1,3H3.
What are the key properties of 2-methyl-N-prop-2-enylpent-1-en-1-amine?
2-methyl-N-prop-2-enylpent-1-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpent-1-en-1-amine is sourced from PubChem (CID 174914836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).