6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol

C15H29NO — CID 79836124

IUPAC6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol
SMILESCCCN(CC1CC1)C1CCCC(C)(C)C1O
InChIInChI=1S/C15H29NO/c1-4-10-16(11-12-7-8-12)13-6-5-9-15(2,3)14(13)17/h12-14,17H,4-11H2,1-3H3
InChIKeyYKAZISPLELOQDV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds5

About 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol

6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79836124) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol
PubChem CID79836124
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol
SMILESCCCN(CC1CC1)C1CCCC(C)(C)C1O
InChIInChI=1S/C15H29NO/c1-4-10-16(11-12-7-8-12)13-6-5-9-15(2,3)14(13)17/h12-14,17H,4-11H2,1-3H3
InChIKeyYKAZISPLELOQDV-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol (CID 79836124) is 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol is CCCN(CC1CC1)C1CCCC(C)(C)C1O.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is YKAZISPLELOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-10-16(11-12-7-8-12)13-6-5-9-15(2,3)14(13)17/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol?
6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79836124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).