1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine

C17H28N2 — CID 83043630

IUPAC1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
SMILESCCCC(CNC1CC1)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C17H28N2/c1-4-5-17(12-18-16-10-11-16)19(3)13-15-8-6-14(2)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyYBHLCKYFHDEEFY-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.35
Rot. Bonds8

About 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine

1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine (PubChem CID 83043630) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
PubChem CID83043630
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
SMILESCCCC(CNC1CC1)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C17H28N2/c1-4-5-17(12-18-16-10-11-16)19(3)13-15-8-6-14(2)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyYBHLCKYFHDEEFY-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine (CID 83043630) is 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine is CCCC(CNC1CC1)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The InChIKey is YBHLCKYFHDEEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-5-17(12-18-16-10-11-16)19(3)13-15-8-6-14(2)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.35, 8 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-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 83043630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).