4-(hex-5-ynylamino)cyclohexan-1-ol

C12H21NO — CID 106209793

IUPAC4-(hex-5-ynylamino)cyclohexan-1-ol
SMILESC#CCCCCNC1CCC(O)CC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h1,11-14H,3-10H2
InChIKeyCTPSEIKDFLBZLV-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.68
Rot. Bonds5

About 4-(hex-5-ynylamino)cyclohexan-1-ol

4-(hex-5-ynylamino)cyclohexan-1-ol (PubChem CID 106209793) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(hex-5-ynylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(hex-5-ynylamino)cyclohexan-1-ol
PubChem CID106209793
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(hex-5-ynylamino)cyclohexan-1-ol
SMILESC#CCCCCNC1CCC(O)CC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h1,11-14H,3-10H2
InChIKeyCTPSEIKDFLBZLV-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hept-6-ynylamino)cyclohexan-1-ol
CID 168832781
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 113348886
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638
N-pent-4-ynyloxan-4-amine
CID 115656501
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
N-hex-5-ynyl-3-methoxycyclobutan-1-amine
CID 104871898
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646
N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
CID 115694258

Frequently Asked Questions

What is the IUPAC name of 4-(hex-5-ynylamino)cyclohexan-1-ol?
The IUPAC name of 4-(hex-5-ynylamino)cyclohexan-1-ol (CID 106209793) is 4-(hex-5-ynylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(hex-5-ynylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(hex-5-ynylamino)cyclohexan-1-ol is C#CCCCCNC1CCC(O)CC1.
What is the InChIKey of 4-(hex-5-ynylamino)cyclohexan-1-ol?
The InChIKey is CTPSEIKDFLBZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h1,11-14H,3-10H2.
What are the key properties of 4-(hex-5-ynylamino)cyclohexan-1-ol?
4-(hex-5-ynylamino)cyclohexan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-5-ynylamino)cyclohexan-1-ol is sourced from PubChem (CID 106209793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).