N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine

C19H32N2 — CID 63470309

IUPACN'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCCN(CC(NCCC)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C19H32N2/c1-4-6-14-21(18-11-12-18)15-19(20-13-5-2)17-9-7-16(3)8-10-17/h7-10,18-20H,4-6,11-15H2,1-3H3
InChIKeyNTWRAPPHCRFPEW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.30
Rot. Bonds10

About N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine

N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine (PubChem CID 63470309) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
PubChem CID63470309
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCCN(CC(NCCC)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C19H32N2/c1-4-6-14-21(18-11-12-18)15-19(20-13-5-2)17-9-7-16(3)8-10-17/h7-10,18-20H,4-6,11-15H2,1-3H3
InChIKeyNTWRAPPHCRFPEW-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63484007
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63466998
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63693085
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469252
N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103910587
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
CID 63163998
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
CID 81035781
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine (CID 63470309) is N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine is CCCCN(CC(NCCC)c1ccc(C)cc1)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is NTWRAPPHCRFPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-14-21(18-11-12-18)15-19(20-13-5-2)17-9-7-16(3)8-10-17/h7-10,18-20H,4-6,11-15H2,1-3H3.
What are the key properties of N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 63470309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).