N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine

C14H30N2 — CID 79570190

IUPACN-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine
SMILESCCCC(C)N(C)CCC1CCCC1NC
InChIInChI=1S/C14H30N2/c1-5-7-12(2)16(4)11-10-13-8-6-9-14(13)15-3/h12-15H,5-11H2,1-4H3
InChIKeyJKVQFFBNKGXVCX-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

About N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine

N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine (PubChem CID 79570190) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine
PubChem CID79570190
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine
SMILESCCCC(C)N(C)CCC1CCCC1NC
InChIInChI=1S/C14H30N2/c1-5-7-12(2)16(4)11-10-13-8-6-9-14(13)15-3/h12-15H,5-11H2,1-4H3
InChIKeyJKVQFFBNKGXVCX-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine (CID 79570190) is N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine is CCCC(C)N(C)CCC1CCCC1NC.
What is the InChIKey of N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine?
The InChIKey is JKVQFFBNKGXVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-7-12(2)16(4)11-10-13-8-6-9-14(13)15-3/h12-15H,5-11H2,1-4H3.
What are the key properties of N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine?
N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79570190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).