N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine

C19H32N2 — CID 78944157

IUPACN'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(CCC(C)C)C1CC1)c1cccc(C)c1
InChIInChI=1S/C19H32N2/c1-15(2)10-12-21(18-8-9-18)13-11-19(20-4)17-7-5-6-16(3)14-17/h5-7,14-15,18-20H,8-13H2,1-4H3
InChIKeyJKCODOSQQHFQEK-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds9

About N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine

N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine (PubChem CID 78944157) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
PubChem CID78944157
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(CCC(C)C)C1CC1)c1cccc(C)c1
InChIInChI=1S/C19H32N2/c1-15(2)10-12-21(18-8-9-18)13-11-19(20-4)17-7-5-6-16(3)14-17/h5-7,14-15,18-20H,8-13H2,1-4H3
InChIKeyJKCODOSQQHFQEK-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
CID 78976695
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074601
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521664
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
CID 62612456
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495538
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
CID 104804760

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine (CID 78944157) is N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine is CNC(CCN(CCC(C)C)C1CC1)c1cccc(C)c1.
What is the InChIKey of N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine?
The InChIKey is JKCODOSQQHFQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)10-12-21(18-8-9-18)13-11-19(20-4)17-7-5-6-16(3)14-17/h5-7,14-15,18-20H,8-13H2,1-4H3.
What are the key properties of N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine?
N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 78944157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).