3-methylidene-N-prop-2-enylpent-1-en-2-amine

C9H15N — CID 143353048

IUPAC3-methylidene-N-prop-2-enylpent-1-en-2-amine
SMILESC=CCNC(=C)C(=C)CC
InChIInChI=1S/C9H15N/c1-5-7-10-9(4)8(3)6-2/h5,10H,1,3-4,6-7H2,2H3
InChIKeyIZCQGTQVMSFRSO-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.24
Rot. Bonds5

About 3-methylidene-N-prop-2-enylpent-1-en-2-amine

3-methylidene-N-prop-2-enylpent-1-en-2-amine (PubChem CID 143353048) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-methylidene-N-prop-2-enylpent-1-en-2-amine.

Molecular Properties

Compound Name3-methylidene-N-prop-2-enylpent-1-en-2-amine
PubChem CID143353048
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-methylidene-N-prop-2-enylpent-1-en-2-amine
SMILESC=CCNC(=C)C(=C)CC
InChIInChI=1S/C9H15N/c1-5-7-10-9(4)8(3)6-2/h5,10H,1,3-4,6-7H2,2H3
InChIKeyIZCQGTQVMSFRSO-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylpropanethioamide
CID 15420967
(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine
CID 144984649
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
4,4-dimethyl-N-prop-2-enylpent-1-en-2-amine
CID 171790832
1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine
CID 118258790
2-methyl-N-prop-2-enylbutanamide
CID 20811204
2,2-diethyl-N-prop-2-enylbutanethioamide
CID 23622245
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
CID 175865307
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
methanethiol;prop-2-enylcarbamic acid
CID 175464551
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-prop-2-enylpent-1-en-2-amine?
The IUPAC name of 3-methylidene-N-prop-2-enylpent-1-en-2-amine (CID 143353048) is 3-methylidene-N-prop-2-enylpent-1-en-2-amine.
What is the SMILES notation for 3-methylidene-N-prop-2-enylpent-1-en-2-amine?
The canonical SMILES for 3-methylidene-N-prop-2-enylpent-1-en-2-amine is C=CCNC(=C)C(=C)CC.
What is the InChIKey of 3-methylidene-N-prop-2-enylpent-1-en-2-amine?
The InChIKey is IZCQGTQVMSFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-10-9(4)8(3)6-2/h5,10H,1,3-4,6-7H2,2H3.
What are the key properties of 3-methylidene-N-prop-2-enylpent-1-en-2-amine?
3-methylidene-N-prop-2-enylpent-1-en-2-amine has a molecular weight of 137.23 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-prop-2-enylpent-1-en-2-amine is sourced from PubChem (CID 143353048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).