N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine

C16H26N2 — CID 43753483

IUPACN-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2/c1-4-9-18(15-7-8-15)16(11-17)14-6-5-12(2)13(3)10-14/h5-6,10,15-16H,4,7-9,11,17H2,1-3H3
InChIKeyXGWKNDAOPOEFQK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.18
Rot. Bonds6

About N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine

N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine (PubChem CID 43753483) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
PubChem CID43753483
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2/c1-4-9-18(15-7-8-15)16(11-17)14-6-5-12(2)13(3)10-14/h5-6,10,15-16H,4,7-9,11,17H2,1-3H3
InChIKeyXGWKNDAOPOEFQK-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433942
N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 61440583
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
CID 43270152
N-butyl-N-cyclopropyl-1-[4-(dimethylamino)phenyl]ethane-1,2-diamine
CID 61441069
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
CID 43270201
1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 106817441
N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine (CID 43753483) is N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine is CCCN(C1CC1)C(CN)c1ccc(C)c(C)c1.
What is the InChIKey of N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is XGWKNDAOPOEFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-9-18(15-7-8-15)16(11-17)14-6-5-12(2)13(3)10-14/h5-6,10,15-16H,4,7-9,11,17H2,1-3H3.
What are the key properties of N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine?
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 43753483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).