4-[heptan-4-yl(methyl)amino]butan-1-ol

C12H27NO — CID 88539723

IUPAC4-[heptan-4-yl(methyl)amino]butan-1-ol
SMILESCCCC(CCC)N(C)CCCCO
InChIInChI=1S/C12H27NO/c1-4-8-12(9-5-2)13(3)10-6-7-11-14/h12,14H,4-11H2,1-3H3
InChIKeyQOLLPNQCKSYXFC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.66
Rot. Bonds9

About 4-[heptan-4-yl(methyl)amino]butan-1-ol

4-[heptan-4-yl(methyl)amino]butan-1-ol (PubChem CID 88539723) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-[heptan-4-yl(methyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[heptan-4-yl(methyl)amino]butan-1-ol
PubChem CID88539723
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-[heptan-4-yl(methyl)amino]butan-1-ol
SMILESCCCC(CCC)N(C)CCCCO
InChIInChI=1S/C12H27NO/c1-4-8-12(9-5-2)13(3)10-6-7-11-14/h12,14H,4-11H2,1-3H3
InChIKeyQOLLPNQCKSYXFC-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
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

3-[methyl(propyl)amino]hexan-1-ol
CID 91433041
5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
CID 107198475
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
N-butyl-N-methylnonan-5-amine
CID 175231488
N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
CID 107202800
2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054356
4-[ethyl(nonan-5-yl)amino]butan-1-ol
CID 88539737
ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
CID 103768211
1-[6-[4-hydroxybutyl(methyl)amino]-11-(2-nonanoyloxyoctylsulfanyl)undecyl]sulfanyloctan-2-yl nonanoate
CID 171811931
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
3-[5-hydroxypentyl(methyl)amino]butanenitrile
CID 63223622
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075

Frequently Asked Questions

What is the IUPAC name of 4-[heptan-4-yl(methyl)amino]butan-1-ol?
The IUPAC name of 4-[heptan-4-yl(methyl)amino]butan-1-ol (CID 88539723) is 4-[heptan-4-yl(methyl)amino]butan-1-ol.
What is the SMILES notation for 4-[heptan-4-yl(methyl)amino]butan-1-ol?
The canonical SMILES for 4-[heptan-4-yl(methyl)amino]butan-1-ol is CCCC(CCC)N(C)CCCCO.
What is the InChIKey of 4-[heptan-4-yl(methyl)amino]butan-1-ol?
The InChIKey is QOLLPNQCKSYXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-8-12(9-5-2)13(3)10-6-7-11-14/h12,14H,4-11H2,1-3H3.
What are the key properties of 4-[heptan-4-yl(methyl)amino]butan-1-ol?
4-[heptan-4-yl(methyl)amino]butan-1-ol has a molecular weight of 201.35 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 4-[heptan-4-yl(methyl)amino]butan-1-ol is sourced from PubChem (CID 88539723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).