2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine

C15H24N2 — CID 130646245

IUPAC2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine
SMILESCCC(CN)(NCc1ccccc1)C1CC1C
InChIInChI=1S/C15H24N2/c1-3-15(11-16,14-9-12(14)2)17-10-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11,16H2,1-2H3
InChIKeyKBQXNEYKMQNKAX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.54
Rot. Bonds6

About 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine

2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine (PubChem CID 130646245) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine
PubChem CID130646245
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine
SMILESCCC(CN)(NCc1ccccc1)C1CC1C
InChIInChI=1S/C15H24N2/c1-3-15(11-16,14-9-12(14)2)17-10-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11,16H2,1-2H3
InChIKeyKBQXNEYKMQNKAX-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylbenzylamine
CID 7669
N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzathine
CID 8793
1-Benzylpiperazine
CID 75994
Isopropylbenzylamine
CID 66024
N-Ethylbenzylamine
CID 84352
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
N-Propylbenzylamine
CID 74850
1-Methyl-3-phenylpiperazine
CID 2760009
N-Methyl-1-phenylcyclohexylamine
CID 262910
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)
CID 2728761
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine (CID 130646245) is 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine is CCC(CN)(NCc1ccccc1)C1CC1C.
What is the InChIKey of 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine?
The InChIKey is KBQXNEYKMQNKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-15(11-16,14-9-12(14)2)17-10-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11,16H2,1-2H3.
What are the key properties of 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine?
2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-(2-methylcyclopropyl)butane-1,2-diamine is sourced from PubChem (CID 130646245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).