1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol

C11H24N2O — CID 114948519

IUPAC1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCCC(CN)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H24N2O/c1-3-10(8-12)13(2)9-11(14)6-4-5-7-11/h10,14H,3-9,12H2,1-2H3
InChIKeyMTLLMLOJRPKSOE-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds5

About 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol

1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol (PubChem CID 114948519) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol
PubChem CID114948519
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCCC(CN)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H24N2O/c1-3-10(8-12)13(2)9-11(14)6-4-5-7-11/h10,14H,3-9,12H2,1-2H3
InChIKeyMTLLMLOJRPKSOE-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol (CID 114948519) is 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol is CCC(CN)N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is MTLLMLOJRPKSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-10(8-12)13(2)9-11(14)6-4-5-7-11/h10,14H,3-9,12H2,1-2H3.
What are the key properties of 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol?
1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).