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

C12H26N2 — CID 62614684

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine
SMILESCCC(C)N(CC)CC1CCCC1N
InChIInChI=1S/C12H26N2/c1-4-10(3)14(5-2)9-11-7-6-8-12(11)13/h10-12H,4-9,13H2,1-3H3
InChIKeyWTOYVHPLBVBAJR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds5

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

2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 62614684) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine
PubChem CID62614684
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine
SMILESCCC(C)N(CC)CC1CCCC1N
InChIInChI=1S/C12H26N2/c1-4-10(3)14(5-2)9-11-7-6-8-12(11)13/h10-12H,4-9,13H2,1-3H3
InChIKeyWTOYVHPLBVBAJR-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine (CID 62614684) is 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine is CCC(C)N(CC)CC1CCCC1N.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is WTOYVHPLBVBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-10(3)14(5-2)9-11-7-6-8-12(11)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine?
2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 62614684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).