1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine

C12H26N2 — CID 60852457

IUPAC1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
SMILESCCCCN(CC)CC1(N)CCCC1
InChIInChI=1S/C12H26N2/c1-3-5-10-14(4-2)11-12(13)8-6-7-9-12/h3-11,13H2,1-2H3
InChIKeyYTNPLVNUDWALPI-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds6

About 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine

1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 60852457) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
PubChem CID60852457
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
SMILESCCCCN(CC)CC1(N)CCCC1
InChIInChI=1S/C12H26N2/c1-3-5-10-14(4-2)11-12(13)8-6-7-9-12/h3-11,13H2,1-2H3
InChIKeyYTNPLVNUDWALPI-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine (CID 60852457) is 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine is CCCCN(CC)CC1(N)CCCC1.
What is the InChIKey of 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is YTNPLVNUDWALPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-10-14(4-2)11-12(13)8-6-7-9-12/h3-11,13H2,1-2H3.
What are the key properties of 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine?
1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 60852457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).