3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine

C14H22N2 — CID 62588869

IUPAC3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
SMILESCCCN(CC1CC1)c1cc(N)ccc1C
InChIInChI=1S/C14H22N2/c1-3-8-16(10-12-5-6-12)14-9-13(15)7-4-11(14)2/h4,7,9,12H,3,5-6,8,10,15H2,1-2H3
InChIKeyKOELGRZAGRSLOP-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.20
Rot. Bonds5

About 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine

3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine (PubChem CID 62588869) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
PubChem CID62588869
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
SMILESCCCN(CC1CC1)c1cc(N)ccc1C
InChIInChI=1S/C14H22N2/c1-3-8-16(10-12-5-6-12)14-9-13(15)7-4-11(14)2/h4,7,9,12H,3,5-6,8,10,15H2,1-2H3
InChIKeyKOELGRZAGRSLOP-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline
CID 62122570
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606
4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine
CID 114988228
N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine
CID 22952147
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
CID 63550613
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine (CID 62588869) is 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine is CCCN(CC1CC1)c1cc(N)ccc1C.
What is the InChIKey of 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine?
The InChIKey is KOELGRZAGRSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-8-16(10-12-5-6-12)14-9-13(15)7-4-11(14)2/h4,7,9,12H,3,5-6,8,10,15H2,1-2H3.
What are the key properties of 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine?
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine is sourced from PubChem (CID 62588869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).