2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine

C11H24N2 — CID 62558184

IUPAC2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)CCCC
InChIInChI=1S/C11H24N2/c1-5-7-9-13(4)11(3)10-12-8-6-2/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKeyLRSIOLWXMIFZGG-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.88
Rot. Bonds8

About 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine

2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 62558184) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID62558184
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)CCCC
InChIInChI=1S/C11H24N2/c1-5-7-9-13(4)11(3)10-12-8-6-2/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKeyLRSIOLWXMIFZGG-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
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-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568971
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
2-N-methyl-2-N-(4-methylpentan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62570558
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569094
2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568961
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62558337
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568215
2,3-dimethyl-N-prop-2-enylpentan-1-amine
CID 10057996
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569774
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine (CID 62558184) is 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(C)CCCC.
What is the InChIKey of 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is LRSIOLWXMIFZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-7-9-13(4)11(3)10-12-8-6-2/h6,11-12H,2,5,7-10H2,1,3-4H3.
What are the key properties of 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 62558184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).