2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol

C12H25NO — CID 64927417

IUPAC2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCCCC(C)NCC1CCCCC1O
InChIInChI=1S/C12H25NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14/h10-14H,3-9H2,1-2H3
InChIKeyQDMBZYLGWFWJNE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

About 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol

2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 64927417) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID64927417
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCCCC(C)NCC1CCCCC1O
InChIInChI=1S/C12H25NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14/h10-14H,3-9H2,1-2H3
InChIKeyQDMBZYLGWFWJNE-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
CID 83040701
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
3-[(2-hydroxycyclohexyl)methylamino]butanoic acid
CID 64911182
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
2-[(2,6-dimethylheptan-4-ylamino)methyl]cyclohexan-1-ol
CID 64927236
trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
CID 104926547
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
CID 103254108
ethyl 2-[(2-hydroxycyclohexyl)methylamino]butanoate
CID 64913476
2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 64928817
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037

Frequently Asked Questions

What is the IUPAC name of 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol (CID 64927417) is 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol is CCCC(C)NCC1CCCCC1O.
What is the InChIKey of 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is QDMBZYLGWFWJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol?
2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).