1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol

C15H29NO — CID 81345241

IUPAC1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)C1CCCCC1NCC1(O)CCCC1
InChIInChI=1S/C15H29NO/c1-12(2)13-7-3-4-8-14(13)16-11-15(17)9-5-6-10-15/h12-14,16-17H,3-11H2,1-2H3
InChIKeyBYLCPCVPQKBQAC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds4

About 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol

1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol (PubChem CID 81345241) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol
PubChem CID81345241
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)C1CCCCC1NCC1(O)CCCC1
InChIInChI=1S/C15H29NO/c1-12(2)13-7-3-4-8-14(13)16-11-15(17)9-5-6-10-15/h12-14,16-17H,3-11H2,1-2H3
InChIKeyBYLCPCVPQKBQAC-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol (CID 81345241) is 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol is CC(C)C1CCCCC1NCC1(O)CCCC1.
What is the InChIKey of 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is BYLCPCVPQKBQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)13-7-3-4-8-14(13)16-11-15(17)9-5-6-10-15/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol?
1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 81345241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).