4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol

C12H21NO — CID 130481330

IUPAC4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol
SMILESC#CC(NC1CCC(O)CC1)C(C)C
InChIInChI=1S/C12H21NO/c1-4-12(9(2)3)13-10-5-7-11(14)8-6-10/h1,9-14H,5-8H2,2-3H3
InChIKeySVYCUGAYRWZOIC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.54
Rot. Bonds3

About 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol

4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol (PubChem CID 130481330) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol
PubChem CID130481330
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol
SMILESC#CC(NC1CCC(O)CC1)C(C)C
InChIInChI=1S/C12H21NO/c1-4-12(9(2)3)13-10-5-7-11(14)8-6-10/h1,9-14H,5-8H2,2-3H3
InChIKeySVYCUGAYRWZOIC-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(but-3-yn-2-ylamino)cyclohexan-1-ol
CID 106595269
4-(pent-4-yn-2-ylamino)cyclohexan-1-ol
CID 106595148
2-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylpropanamide
CID 103602120
4-(1-cyclobutylethylamino)cyclohexan-1-ol
CID 103775411
N-(4-methylpent-1-yn-3-yl)-3-methylsulfonylcyclohexan-1-amine
CID 114202259
4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
CID 43201193
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244
N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine
CID 130481453
4-(1-cyclopentylpropan-2-ylamino)cyclohexan-1-ol
CID 103904582
4-(1-cyclobutylpropan-2-ylamino)cyclohexan-1-ol
CID 103904559
N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine
CID 130481299
4-[di(cyclobutyl)methylamino]cyclohexan-1-ol
CID 114274433

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol (CID 130481330) is 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol is C#CC(NC1CCC(O)CC1)C(C)C.
What is the InChIKey of 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol?
The InChIKey is SVYCUGAYRWZOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-12(9(2)3)13-10-5-7-11(14)8-6-10/h1,9-14H,5-8H2,2-3H3.
What are the key properties of 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol?
4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 130481330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).