N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine

C19H32N2 — CID 62617718

IUPACN'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(c1ccccc1)C(C)CN(CC)C1CCCC1
InChIInChI=1S/C19H32N2/c1-4-20-19(17-11-7-6-8-12-17)16(3)15-21(5-2)18-13-9-10-14-18/h6-8,11-12,16,18-20H,4-5,9-10,13-15H2,1-3H3
InChIKeyJOIYPBNSQZPYJD-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds8

About N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine

N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62617718) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
PubChem CID62617718
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(c1ccccc1)C(C)CN(CC)C1CCCC1
InChIInChI=1S/C19H32N2/c1-4-20-19(17-11-7-6-8-12-17)16(3)15-21(5-2)18-13-9-10-14-18/h6-8,11-12,16,18-20H,4-5,9-10,13-15H2,1-3H3
InChIKeyJOIYPBNSQZPYJD-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62619592
2-[cyclopentyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 62618091
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 115987569
N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62618413
N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62860142

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine (CID 62617718) is N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine is CCNC(c1ccccc1)C(C)CN(CC)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is JOIYPBNSQZPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-19(17-11-7-6-8-12-17)16(3)15-21(5-2)18-13-9-10-14-18/h6-8,11-12,16,18-20H,4-5,9-10,13-15H2,1-3H3.
What are the key properties of N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine?
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62617718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).