3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol

C13H27NO — CID 70055299

IUPAC3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CCO)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(2)14-13(3,9-10-15)12-7-5-4-6-8-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeySEEQAMBTTNOXIE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds5

About 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol

3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol (PubChem CID 70055299) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol
PubChem CID70055299
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CCO)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(2)14-13(3,9-10-15)12-7-5-4-6-8-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeySEEQAMBTTNOXIE-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol (CID 70055299) is 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CCO)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol?
The InChIKey is SEEQAMBTTNOXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)14-13(3,9-10-15)12-7-5-4-6-8-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol?
3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 70055299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).