N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine

C18H38N2 — CID 63503790

IUPACN-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCN1CCC(CC)(CC)CC1
InChIInChI=1S/C18H38N2/c1-5-8-9-10-17(4)19-13-16-20-14-11-18(6-2,7-3)12-15-20/h17,19H,5-16H2,1-4H3
InChIKeyTYJPUESZOBCMMB-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds10

About N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine

N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine (PubChem CID 63503790) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine
PubChem CID63503790
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCN1CCC(CC)(CC)CC1
InChIInChI=1S/C18H38N2/c1-5-8-9-10-17(4)19-13-16-20-14-11-18(6-2,7-3)12-15-20/h17,19H,5-16H2,1-4H3
InChIKeyTYJPUESZOBCMMB-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine
CID 62560602
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 63163464
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine
CID 79945499
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]pentan-2-amine
CID 107459657
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine (CID 63503790) is N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCN1CCC(CC)(CC)CC1.
What is the InChIKey of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine?
The InChIKey is TYJPUESZOBCMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-8-9-10-17(4)19-13-16-20-14-11-18(6-2,7-3)12-15-20/h17,19H,5-16H2,1-4H3.
What are the key properties of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine?
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 63503790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).