N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine

C19H32N2 — CID 63195623

IUPACN'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine
SMILESCCN(CC(C)(C)C(NC)c1ccccc1)C1CCCC1
InChIInChI=1S/C19H32N2/c1-5-21(17-13-9-10-14-17)15-19(2,3)18(20-4)16-11-7-6-8-12-16/h6-8,11-12,17-18,20H,5,9-10,13-15H2,1-4H3
InChIKeyYCIDIFPASBVDAD-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds7

About N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine

N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine (PubChem CID 63195623) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine
PubChem CID63195623
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine
SMILESCCN(CC(C)(C)C(NC)c1ccccc1)C1CCCC1
InChIInChI=1S/C19H32N2/c1-5-21(17-13-9-10-14-17)15-19(2,3)18(20-4)16-11-7-6-8-12-16/h6-8,11-12,17-18,20H,5,9-10,13-15H2,1-4H3
InChIKeyYCIDIFPASBVDAD-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine (CID 63195623) is N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine is CCN(CC(C)(C)C(NC)c1ccccc1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is YCIDIFPASBVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(17-13-9-10-14-17)15-19(2,3)18(20-4)16-11-7-6-8-12-16/h6-8,11-12,17-18,20H,5,9-10,13-15H2,1-4H3.
What are the key properties of N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine?
N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63195623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).