N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine

C16H26N2 — CID 55098071

IUPACN'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(N)c1ccccc1C)C1CC1
InChIInChI=1S/C16H26N2/c1-3-11-18(14-8-9-14)12-10-16(17)15-7-5-4-6-13(15)2/h4-7,14,16H,3,8-12,17H2,1-2H3
InChIKeyAZOKZNVXWQAFNM-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds7

About N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine

N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine (PubChem CID 55098071) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
PubChem CID55098071
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(N)c1ccccc1C)C1CC1
InChIInChI=1S/C16H26N2/c1-3-11-18(14-8-9-14)12-10-16(17)15-7-5-4-6-13(15)2/h4-7,14,16H,3,8-12,17H2,1-2H3
InChIKeyAZOKZNVXWQAFNM-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 55098115
N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
CID 62645216
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 82780047
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624580
N'-butyl-N'-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 55098165
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine
CID 43270354
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine (CID 55098071) is N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine is CCCN(CCC(N)c1ccccc1C)C1CC1.
What is the InChIKey of N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine?
The InChIKey is AZOKZNVXWQAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-11-18(14-8-9-14)12-10-16(17)15-7-5-4-6-13(15)2/h4-7,14,16H,3,8-12,17H2,1-2H3.
What are the key properties of N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine?
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 55098071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).