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

C17H28N2 — CID 62461524

IUPAC1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
SMILESCc1ccccc1CN(C)C(CNC1CC1)C(C)C
InChIInChI=1S/C17H28N2/c1-13(2)17(11-18-16-9-10-16)19(4)12-15-8-6-5-7-14(15)3/h5-8,13,16-18H,9-12H2,1-4H3
InChIKeyZNDHRXMWKITQBD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.20
Rot. Bonds7

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

1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 62461524) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
PubChem CID62461524
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
SMILESCc1ccccc1CN(C)C(CNC1CC1)C(C)C
InChIInChI=1S/C17H28N2/c1-13(2)17(11-18-16-9-10-16)19(4)12-15-8-6-5-7-14(15)3/h5-8,13,16-18H,9-12H2,1-4H3
InChIKeyZNDHRXMWKITQBD-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-2-N-methyl-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 62569436
1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
1-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 134022614
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
N-cyclopropyl-N',2-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62436306
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
1-N,3-N-dimethyl-3-N-[(2-methylphenyl)methyl]cyclopentane-1,3-diamine
CID 79643894
N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105981
3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine
CID 61411459

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine (CID 62461524) is 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine is Cc1ccccc1CN(C)C(CNC1CC1)C(C)C.
What is the InChIKey of 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is ZNDHRXMWKITQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)17(11-18-16-9-10-16)19(4)12-15-8-6-5-7-14(15)3/h5-8,13,16-18H,9-12H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine?
1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 62461524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).