3-[(4-tert-butylcyclohexyl)amino]propan-1-ol

C13H27NO — CID 4712347

IUPAC3-[(4-tert-butylcyclohexyl)amino]propan-1-ol
SMILESCC(C)(C)C1CCC(NCCCO)CC1
InChIInChI=1S/C13H27NO/c1-13(2,3)11-5-7-12(8-6-11)14-9-4-10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyVDHUVIMPRYRDHT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds4

About 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol

3-[(4-tert-butylcyclohexyl)amino]propan-1-ol (PubChem CID 4712347) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)amino]propan-1-ol
PubChem CID4712347
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[(4-tert-butylcyclohexyl)amino]propan-1-ol
SMILESCC(C)(C)C1CCC(NCCCO)CC1
InChIInChI=1S/C13H27NO/c1-13(2,3)11-5-7-12(8-6-11)14-9-4-10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyVDHUVIMPRYRDHT-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol (CID 4712347) is 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol is CC(C)(C)C1CCC(NCCCO)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol?
The InChIKey is VDHUVIMPRYRDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)11-5-7-12(8-6-11)14-9-4-10-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol?
3-[(4-tert-butylcyclohexyl)amino]propan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 4712347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).