N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine

C19H38N2 — CID 79059978

IUPACN-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
SMILESCCCCCCCC(NCC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C19H38N2/c1-3-5-6-7-8-13-18(20-4-2)19(14-9-10-15-19)21-16-11-12-17-21/h18,20H,3-17H2,1-2H3
InChIKeyWAWNLOLBNFTHNZ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.73
Rot. Bonds10

About N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine

N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine (PubChem CID 79059978) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
PubChem CID79059978
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
SMILESCCCCCCCC(NCC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C19H38N2/c1-3-5-6-7-8-13-18(20-4-2)19(14-9-10-15-19)21-16-11-12-17-21/h18,20H,3-17H2,1-2H3
InChIKeyWAWNLOLBNFTHNZ-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.73
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-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
CID 79057955
N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine
CID 79057451
N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-propoxyethanamine
CID 79569195
1-(1-piperidin-1-ylcyclopentyl)heptan-1-amine
CID 79057989
1-(1-piperidin-1-ylcyclopentyl)hexan-1-ol
CID 79058984
N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
CID 106829929
1-(1-morpholin-4-ylcyclopentyl)hexylhydrazine
CID 105243126
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
CID 79057744
N,4-dimethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pentan-1-amine
CID 79057439
N,N-diethyl-1-[1-(ethylamino)pentyl]cyclopentan-1-amine
CID 79070657

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine?
The IUPAC name of N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine (CID 79059978) is N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine is CCCCCCCC(NCC)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine?
The InChIKey is WAWNLOLBNFTHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-5-6-7-8-13-18(20-4-2)19(14-9-10-15-19)21-16-11-12-17-21/h18,20H,3-17H2,1-2H3.
What are the key properties of N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine?
N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine is sourced from PubChem (CID 79059978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).