N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine

C19H32N2 — CID 63631647

IUPACN-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCCNCC(C)(CN(C)CC1CCCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-20-15-19(2,18-12-6-5-7-13-18)16-21(3)14-17-10-8-9-11-17/h5-7,12-13,17,20H,4,8-11,14-16H2,1-3H3
InChIKeyJXZVBHRCHQJUOA-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.68
Rot. Bonds8

About N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine

N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine (PubChem CID 63631647) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
PubChem CID63631647
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCCNCC(C)(CN(C)CC1CCCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-20-15-19(2,18-12-6-5-7-13-18)16-21(3)14-17-10-8-9-11-17/h5-7,12-13,17,20H,4,8-11,14-16H2,1-3H3
InChIKeyJXZVBHRCHQJUOA-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine (CID 63631647) is N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine is CCNCC(C)(CN(C)CC1CCCC1)c1ccccc1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine?
The InChIKey is JXZVBHRCHQJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-15-19(2,18-12-6-5-7-13-18)16-21(3)14-17-10-8-9-11-17/h5-7,12-13,17,20H,4,8-11,14-16H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine?
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.68, 8 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,2-dimethyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 63631647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).