4-(3-butoxypropylamino)cyclohexan-1-ol

C13H27NO2 — CID 106595163

IUPAC4-(3-butoxypropylamino)cyclohexan-1-ol
SMILESCCCCOCCCNC1CCC(O)CC1
InChIInChI=1S/C13H27NO2/c1-2-3-10-16-11-4-9-14-12-5-7-13(15)8-6-12/h12-15H,2-11H2,1H3
InChIKeySRCNLXPTHQFEBM-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds8

About 4-(3-butoxypropylamino)cyclohexan-1-ol

4-(3-butoxypropylamino)cyclohexan-1-ol (PubChem CID 106595163) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-(3-butoxypropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-butoxypropylamino)cyclohexan-1-ol
PubChem CID106595163
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-(3-butoxypropylamino)cyclohexan-1-ol
SMILESCCCCOCCCNC1CCC(O)CC1
InChIInChI=1S/C13H27NO2/c1-2-3-10-16-11-4-9-14-12-5-7-13(15)8-6-12/h12-15H,2-11H2,1H3
InChIKeySRCNLXPTHQFEBM-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-(3-butoxypropyl)piperidin-4-amine
CID 20735437
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
undecyl 6-[(4-hydroxycyclohexyl)amino]hexanoate
CID 170698268
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104563816
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091022
4-[2-(ethylamino)ethylamino]cyclohexan-1-ol
CID 90837850

Frequently Asked Questions

What is the IUPAC name of 4-(3-butoxypropylamino)cyclohexan-1-ol?
The IUPAC name of 4-(3-butoxypropylamino)cyclohexan-1-ol (CID 106595163) is 4-(3-butoxypropylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-butoxypropylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-butoxypropylamino)cyclohexan-1-ol is CCCCOCCCNC1CCC(O)CC1.
What is the InChIKey of 4-(3-butoxypropylamino)cyclohexan-1-ol?
The InChIKey is SRCNLXPTHQFEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-10-16-11-4-9-14-12-5-7-13(15)8-6-12/h12-15H,2-11H2,1H3.
What are the key properties of 4-(3-butoxypropylamino)cyclohexan-1-ol?
4-(3-butoxypropylamino)cyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butoxypropylamino)cyclohexan-1-ol is sourced from PubChem (CID 106595163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).