1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C14H29NO — CID 79127529

IUPAC1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(C(C)CN)CC1
InChIInChI=1S/C14H29NO/c1-5-13(3,4)12-6-8-14(16,9-7-12)11(2)10-15/h11-12,16H,5-10,15H2,1-4H3
InChIKeyDBXLVMQYEOBFAW-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.94
Rot. Bonds4

About 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 79127529) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID79127529
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(C(C)CN)CC1
InChIInChI=1S/C14H29NO/c1-5-13(3,4)12-6-8-14(16,9-7-12)11(2)10-15/h11-12,16H,5-10,15H2,1-4H3
InChIKeyDBXLVMQYEOBFAW-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165458047
1-(1-aminopropan-2-yl)cyclopentan-1-ol
CID 79127833
1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79128825
1-(aminomethyl)-N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415888
1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol
CID 79416509
1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62773323
4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol
CID 55078560
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79124767
1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol
CID 15638554
6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane
CID 62775070
methyl 1-amino-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 60797220
3-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]oxypropan-1-ol
CID 103377317

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 79127529) is 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(C(C)CN)CC1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is DBXLVMQYEOBFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-13(3,4)12-6-8-14(16,9-7-12)11(2)10-15/h11-12,16H,5-10,15H2,1-4H3.
What are the key properties of 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 79127529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).