N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine

C16H34N2 — CID 79865601

IUPACN-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
SMILESCCNC1C(CN(C)CC(C)CC)CCC1(C)C
InChIInChI=1S/C16H34N2/c1-7-13(3)11-18(6)12-14-9-10-16(4,5)15(14)17-8-2/h13-15,17H,7-12H2,1-6H3
InChIKeyQHDMTQGZMXKHMM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds7

About N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine (PubChem CID 79865601) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
PubChem CID79865601
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
SMILESCCNC1C(CN(C)CC(C)CC)CCC1(C)C
InChIInChI=1S/C16H34N2/c1-7-13(3)11-18(6)12-14-9-10-16(4,5)15(14)17-8-2/h13-15,17H,7-12H2,1-6H3
InChIKeyQHDMTQGZMXKHMM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine (CID 79865601) is N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine is CCNC1C(CN(C)CC(C)CC)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is QHDMTQGZMXKHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-13(3)11-18(6)12-14-9-10-16(4,5)15(14)17-8-2/h13-15,17H,7-12H2,1-6H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 79865601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).