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

C18H36N2 — CID 79057955

IUPACN-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
SMILESCCCCCCCC(NC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H36N2/c1-3-4-5-6-7-12-17(19-2)18(13-8-9-14-18)20-15-10-11-16-20/h17,19H,3-16H2,1-2H3
InChIKeyFEBUEIDGHNCVPK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.34
Rot. Bonds9

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

N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine (PubChem CID 79057955) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
PubChem CID79057955
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
SMILESCCCCCCCC(NC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H36N2/c1-3-4-5-6-7-12-17(19-2)18(13-8-9-14-18)20-15-10-11-16-20/h17,19H,3-16H2,1-2H3
InChIKeyFEBUEIDGHNCVPK-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.34
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-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
CID 79059978
N,4-dimethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pentan-1-amine
CID 79057439
N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine
CID 79059975
1-(1-piperidin-1-ylcyclopentyl)heptan-1-amine
CID 79057989
1-(1-piperidin-1-ylcyclopentyl)hexan-1-ol
CID 79058984
1-(1-morpholin-4-ylcyclopentyl)hexylhydrazine
CID 105243126
2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79568733
4-methoxy-N,4-dimethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pentan-1-amine
CID 103035859
2-cyclopentyl-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79058715
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
CID 79057744
N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129851

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine?
The IUPAC name of N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine (CID 79057955) is N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine.
What is the SMILES notation for N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine?
The canonical SMILES for N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine is CCCCCCCC(NC)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine?
The InChIKey is FEBUEIDGHNCVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-4-5-6-7-12-17(19-2)18(13-8-9-14-18)20-15-10-11-16-20/h17,19H,3-16H2,1-2H3.
What are the key properties of N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine?
N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine is sourced from PubChem (CID 79057955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).