2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine

C10H20N2 — CID 59110309

IUPAC2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine
SMILESC=CCNCC(NC)C(=C)CC
InChIInChI=1S/C10H20N2/c1-5-7-12-8-10(11-4)9(3)6-2/h5,10-12H,1,3,6-8H2,2,4H3
InChIKeyWHXQRKLSRQSSOI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.32
Rot. Bonds7

About 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine

2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine (PubChem CID 59110309) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine
PubChem CID59110309
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine
SMILESC=CCNCC(NC)C(=C)CC
InChIInChI=1S/C10H20N2/c1-5-7-12-8-10(11-4)9(3)6-2/h5,10-12H,1,3,6-8H2,2,4H3
InChIKeyWHXQRKLSRQSSOI-UHFFFAOYSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
CID 23109108
N-[(4-methyl-1-prop-2-enyl-2,3-dihydropyrrol-2-yl)methyl]prop-2-en-1-amine
CID 135003191
1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine
CID 10775540
2-ethenyl-1-N,5-N-dipropylpentane-1,2,5-triamine
CID 21326437
2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine
CID 23109100
N-(2-methylhexa-1,5-dien-3-yl)heptan-2-amine
CID 23109102
2-(2-Methylprop-2-enyl)piperazine
CID 54301433
2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine
CID 58987143
2-N-prop-2-enylhexane-1,2-diamine
CID 65384507
2-N-prop-2-enylpentane-1,2-diamine
CID 65384713
N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 70093176
2-N-cyclohexylbut-3-ene-1,2-diamine
CID 70485048

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine?
The IUPAC name of 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine (CID 59110309) is 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine is C=CCNCC(NC)C(=C)CC.
What is the InChIKey of 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine?
The InChIKey is WHXQRKLSRQSSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-7-12-8-10(11-4)9(3)6-2/h5,10-12H,1,3,6-8H2,2,4H3.
What are the key properties of 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine?
2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine is sourced from PubChem (CID 59110309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).