4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol

C12H25NO — CID 64913852

IUPAC4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol
SMILESCC(O)CCNC1CCC(C)(C)CC1
InChIInChI=1S/C12H25NO/c1-10(14)6-9-13-11-4-7-12(2,3)8-5-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyQAXBUNIHLRCHCN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds4

About 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol

4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol (PubChem CID 64913852) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol
PubChem CID64913852
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol
SMILESCC(O)CCNC1CCC(C)(C)CC1
InChIInChI=1S/C12H25NO/c1-10(14)6-9-13-11-4-7-12(2,3)8-5-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyQAXBUNIHLRCHCN-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol (CID 64913852) is 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol is CC(O)CCNC1CCC(C)(C)CC1.
What is the InChIKey of 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol?
The InChIKey is QAXBUNIHLRCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(14)6-9-13-11-4-7-12(2,3)8-5-11/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol?
4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 64913852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).