[4-(butylamino)cyclohexyl]methanol

C11H23NO — CID 89339972

IUPAC[4-(butylamino)cyclohexyl]methanol
SMILESCCCCNC1CCC(CO)CC1
InChIInChI=1S/C11H23NO/c1-2-3-8-12-11-6-4-10(9-13)5-7-11/h10-13H,2-9H2,1H3
InChIKeyUPMXGYCWPHRTHF-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds5

About [4-(butylamino)cyclohexyl]methanol

[4-(butylamino)cyclohexyl]methanol (PubChem CID 89339972) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [4-(butylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(butylamino)cyclohexyl]methanol
PubChem CID89339972
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[4-(butylamino)cyclohexyl]methanol
SMILESCCCCNC1CCC(CO)CC1
InChIInChI=1S/C11H23NO/c1-2-3-8-12-11-6-4-10(9-13)5-7-11/h10-13H,2-9H2,1H3
InChIKeyUPMXGYCWPHRTHF-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-propylcyclohexan-1-amine
CID 43080052
N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
2-[6-[[4-(hydroxymethyl)cyclohexyl]amino]hexyl]-2-methylpropanedioic acid
CID 175979662
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
[4-(heptan-2-ylamino)cyclohexyl]methanol
CID 103788540
4-(butylamino)cyclohexane-1-carbonitrile;ethane
CID 142246575
[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899796
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044

Frequently Asked Questions

What is the IUPAC name of [4-(butylamino)cyclohexyl]methanol?
The IUPAC name of [4-(butylamino)cyclohexyl]methanol (CID 89339972) is [4-(butylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(butylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(butylamino)cyclohexyl]methanol is CCCCNC1CCC(CO)CC1.
What is the InChIKey of [4-(butylamino)cyclohexyl]methanol?
The InChIKey is UPMXGYCWPHRTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-8-12-11-6-4-10(9-13)5-7-11/h10-13H,2-9H2,1H3.
What are the key properties of [4-(butylamino)cyclohexyl]methanol?
[4-(butylamino)cyclohexyl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butylamino)cyclohexyl]methanol is sourced from PubChem (CID 89339972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).