N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine

C18H30N2 — CID 43541052

IUPACN'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(N)CN(CC)C2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-7-15-10-12-16(13-11-15)18(19)14-20(4-2)17-8-5-6-9-17/h10-13,17-18H,3-9,14,19H2,1-2H3
InChIKeyHIQLFWXITZCSED-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.90
Rot. Bonds7

About N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine

N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 43541052) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
PubChem CID43541052
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(N)CN(CC)C2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-7-15-10-12-16(13-11-15)18(19)14-20(4-2)17-8-5-6-9-17/h10-13,17-18H,3-9,14,19H2,1-2H3
InChIKeyHIQLFWXITZCSED-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43273668

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine (CID 43541052) is N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine is CCCc1ccc(C(N)CN(CC)C2CCCC2)cc1.
What is the InChIKey of N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is HIQLFWXITZCSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-7-15-10-12-16(13-11-15)18(19)14-20(4-2)17-8-5-6-9-17/h10-13,17-18H,3-9,14,19H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.90, 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-1-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43541052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).