1-cyclopentyl-N,4-diethyloctan-3-amine

C17H35N — CID 114193299

IUPAC1-cyclopentyl-N,4-diethyloctan-3-amine
SMILESCCCCC(CC)C(CCC1CCCC1)NCC
InChIInChI=1S/C17H35N/c1-4-7-12-16(5-2)17(18-6-3)14-13-15-10-8-9-11-15/h15-18H,4-14H2,1-3H3
InChIKeyYQDFFTXALVFPNN-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds10

About 1-cyclopentyl-N,4-diethyloctan-3-amine

1-cyclopentyl-N,4-diethyloctan-3-amine (PubChem CID 114193299) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-cyclopentyl-N,4-diethyloctan-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-N,4-diethyloctan-3-amine
PubChem CID114193299
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-cyclopentyl-N,4-diethyloctan-3-amine
SMILESCCCCC(CC)C(CCC1CCCC1)NCC
InChIInChI=1S/C17H35N/c1-4-7-12-16(5-2)17(18-6-3)14-13-15-10-8-9-11-15/h15-18H,4-14H2,1-3H3
InChIKeyYQDFFTXALVFPNN-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N,3-diethylheptan-2-amine
CID 115863541
N,5-diethylnonan-4-amine
CID 83051951
1-cyclopropyl-N-ethyl-4-propylheptan-3-amine
CID 104995154
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
N,5-diethylpentadecan-6-amine
CID 115831438
N-(2-cyclopentylethyl)heptan-3-amine
CID 63945725
7-cyclohexyl-N-ethyl-2-methylheptan-3-amine
CID 114192943
1-cyclopentyl-N,5-diethylheptan-3-amine
CID 105028198
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
1-(3-butylheptyl)-6-methylcyclodecane
CID 135036007
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608
1-cyclopentyl-5-ethyl-N-methylnonan-3-amine
CID 115806235

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,4-diethyloctan-3-amine?
The IUPAC name of 1-cyclopentyl-N,4-diethyloctan-3-amine (CID 114193299) is 1-cyclopentyl-N,4-diethyloctan-3-amine.
What is the SMILES notation for 1-cyclopentyl-N,4-diethyloctan-3-amine?
The canonical SMILES for 1-cyclopentyl-N,4-diethyloctan-3-amine is CCCCC(CC)C(CCC1CCCC1)NCC.
What is the InChIKey of 1-cyclopentyl-N,4-diethyloctan-3-amine?
The InChIKey is YQDFFTXALVFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-7-12-16(5-2)17(18-6-3)14-13-15-10-8-9-11-15/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-cyclopentyl-N,4-diethyloctan-3-amine?
1-cyclopentyl-N,4-diethyloctan-3-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N,4-diethyloctan-3-amine is sourced from PubChem (CID 114193299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).