6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol

C13H27NO — CID 103737780

IUPAC6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol
SMILESCC(C)CN(CCCCCCO)C1CC1
InChIInChI=1S/C13H27NO/c1-12(2)11-14(13-7-8-13)9-5-3-4-6-10-15/h12-13,15H,3-11H2,1-2H3
InChIKeyBVIMLIXGSLKALU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds9

About 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol

6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol (PubChem CID 103737780) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol
PubChem CID103737780
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol
SMILESCC(C)CN(CCCCCCO)C1CC1
InChIInChI=1S/C13H27NO/c1-12(2)11-14(13-7-8-13)9-5-3-4-6-10-15/h12-13,15H,3-11H2,1-2H3
InChIKeyBVIMLIXGSLKALU-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]ethanol
CID 111105365
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
1-amino-5-[cyclopropyl(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64818670
6-[cyclopropyl(methyl)amino]hexan-1-ol
CID 103737798
3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
CID 62229709
3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile
CID 103738654
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol
CID 111565156
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol?
The IUPAC name of 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol (CID 103737780) is 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol?
The canonical SMILES for 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol is CC(C)CN(CCCCCCO)C1CC1.
What is the InChIKey of 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol?
The InChIKey is BVIMLIXGSLKALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)11-14(13-7-8-13)9-5-3-4-6-10-15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol?
6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol is sourced from PubChem (CID 103737780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).