1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine

C17H28N2 — CID 55020794

IUPAC1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine
SMILESCCCN(C1CC1)C(c1cccc(C)c1)C(N)CC
InChIInChI=1S/C17H28N2/c1-4-11-19(15-9-10-15)17(16(18)5-2)14-8-6-7-13(3)12-14/h6-8,12,15-17H,4-5,9-11,18H2,1-3H3
InChIKeyNOKDVRNSJMKSFG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.65
Rot. Bonds7

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

1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine (PubChem CID 55020794) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine
PubChem CID55020794
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine
SMILESCCCN(C1CC1)C(c1cccc(C)c1)C(N)CC
InChIInChI=1S/C17H28N2/c1-4-11-19(15-9-10-15)17(16(18)5-2)14-8-6-7-13(3)12-14/h6-8,12,15-17H,4-5,9-11,18H2,1-3H3
InChIKeyNOKDVRNSJMKSFG-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(4-methylcyclohexyl)-1-(3-methylphenyl)butane-1,2-diamine
CID 63406157
1-(3-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55019625
1-N-(cyclobutylmethyl)-1-N-methyl-1-(3-methylphenyl)butane-1,2-diamine
CID 62861456
1-N-methyl-1-(3-methylphenyl)-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657487
1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
CID 63406377
2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide
CID 103101288
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
CID 61262198
1-N-methyl-1-(3-methylphenyl)-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472042
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine (CID 55020794) is 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine is CCCN(C1CC1)C(c1cccc(C)c1)C(N)CC.
What is the InChIKey of 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine?
The InChIKey is NOKDVRNSJMKSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-19(15-9-10-15)17(16(18)5-2)14-8-6-7-13(3)12-14/h6-8,12,15-17H,4-5,9-11,18H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine?
1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 55020794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).