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

C13H27NO — CID 104575909

IUPAC3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
SMILESCC(C)(C)C1CCC(C(N)CCO)CC1
InChIInChI=1S/C13H27NO/c1-13(2,3)11-6-4-10(5-7-11)12(14)8-9-15/h10-12,15H,4-9,14H2,1-3H3
InChIKeyLAZGVSCDXHVGJX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.55
Rot. Bonds3

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

3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol (PubChem CID 104575909) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
PubChem CID104575909
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
SMILESCC(C)(C)C1CCC(C(N)CCO)CC1
InChIInChI=1S/C13H27NO/c1-13(2,3)11-6-4-10(5-7-11)12(14)8-9-15/h10-12,15H,4-9,14H2,1-3H3
InChIKeyLAZGVSCDXHVGJX-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 114209968
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol
CID 97168753
1-cyclopropyl-6,6-dimethylheptan-1-amine
CID 64504875
ethyl 4-(4-tert-butylcyclohexyl)-4-hydroxybutanoate
CID 104575831
2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 65185190
(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol (CID 104575909) is 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol is CC(C)(C)C1CCC(C(N)CCO)CC1.
What is the InChIKey of 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol?
The InChIKey is LAZGVSCDXHVGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)11-6-4-10(5-7-11)12(14)8-9-15/h10-12,15H,4-9,14H2,1-3H3.
What are the key properties of 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol?
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol is sourced from PubChem (CID 104575909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).