N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine

C17H28N2 — CID 63655923

IUPACN-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCCNCC(c1ccccc1)N(C)CC1CCCC1
InChIInChI=1S/C17H28N2/c1-3-18-13-17(16-11-5-4-6-12-16)19(2)14-15-9-7-8-10-15/h4-6,11-12,15,17-18H,3,7-10,13-14H2,1-2H3
InChIKeyLMALMLJIORWBLR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds7

About N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine

N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 63655923) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
PubChem CID63655923
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCCNCC(c1ccccc1)N(C)CC1CCCC1
InChIInChI=1S/C17H28N2/c1-3-18-13-17(16-11-5-4-6-12-16)19(2)14-15-9-7-8-10-15/h4-6,11-12,15,17-18H,3,7-10,13-14H2,1-2H3
InChIKeyLMALMLJIORWBLR-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464
4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
CID 81024739
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242
N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 62413056
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 63274243
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine (CID 63655923) is N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine is CCNCC(c1ccccc1)N(C)CC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is LMALMLJIORWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-18-13-17(16-11-5-4-6-12-16)19(2)14-15-9-7-8-10-15/h4-6,11-12,15,17-18H,3,7-10,13-14H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63655923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).