N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine

C17H36N2 — CID 82922642

IUPACN,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine
SMILESCCC(CC)CC(NC)C1(N(CC)CC)CCCC1
InChIInChI=1S/C17H36N2/c1-6-15(7-2)14-16(18-5)17(12-10-11-13-17)19(8-3)9-4/h15-16,18H,6-14H2,1-5H3
InChIKeyMZLWCPYSPQLLCA-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine

N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine (PubChem CID 82922642) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine
PubChem CID82922642
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine
SMILESCCC(CC)CC(NC)C1(N(CC)CC)CCCC1
InChIInChI=1S/C17H36N2/c1-6-15(7-2)14-16(18-5)17(12-10-11-13-17)19(8-3)9-4/h15-16,18H,6-14H2,1-5H3
InChIKeyMZLWCPYSPQLLCA-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine (CID 82922642) is N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine is CCC(CC)CC(NC)C1(N(CC)CC)CCCC1.
What is the InChIKey of N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine?
The InChIKey is MZLWCPYSPQLLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-15(7-2)14-16(18-5)17(12-10-11-13-17)19(8-3)9-4/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine?
N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-ethyl-1-(methylamino)pentyl]cyclopentan-1-amine is sourced from PubChem (CID 82922642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).