2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine

C15H24N2 — CID 64918033

IUPAC2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(C)c1cccc(C)c1
InChIInChI=1S/C15H24N2/c1-4-15(11-16,13-8-9-13)17(3)14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11,16H2,1-3H3
InChIKeyLDUDHBJONQDQKD-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds5

About 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine

2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine (PubChem CID 64918033) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
PubChem CID64918033
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(C)c1cccc(C)c1
InChIInChI=1S/C15H24N2/c1-4-15(11-16,13-8-9-13)17(3)14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11,16H2,1-3H3
InChIKeyLDUDHBJONQDQKD-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 66178471
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64791529
2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid
CID 63911523
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
CID 61076731
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
CID 62616722
N'-(3-methylphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine
CID 83822938
N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
CID 114016646
CID 138691650
CID 138691650

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine (CID 64918033) is 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine is CCC(CN)(C1CC1)N(C)c1cccc(C)c1.
What is the InChIKey of 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The InChIKey is LDUDHBJONQDQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-15(11-16,13-8-9-13)17(3)14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11,16H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine?
2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 64918033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).