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

C13H29NO — CID 88539765

IUPAC1-[methyl(octan-4-yl)amino]butan-1-ol
SMILESCCCCC(CCC)N(C)C(O)CCC
InChIInChI=1S/C13H29NO/c1-5-8-11-12(9-6-2)14(4)13(15)10-7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyCVVGJCOYQXWIJS-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.40
Rot. Bonds9

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

1-[methyl(octan-4-yl)amino]butan-1-ol (PubChem CID 88539765) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-[methyl(octan-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name1-[methyl(octan-4-yl)amino]butan-1-ol
PubChem CID88539765
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-[methyl(octan-4-yl)amino]butan-1-ol
SMILESCCCCC(CCC)N(C)C(O)CCC
InChIInChI=1S/C13H29NO/c1-5-8-11-12(9-6-2)14(4)13(15)10-7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyCVVGJCOYQXWIJS-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
CID 87112081
1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
CID 57193649
1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
N,N-dihydroxynonan-4-amine
CID 139703467
1-(dibutylamino)butan-1-ol
CID 19802147
methyl N-methyl-N-[(4R)-octan-4-yl]carbamate
CID 89278791
N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide
CID 18735616
N,N-dihydroxydecan-5-amine
CID 88629686
N-butyl-N-methylnonan-5-amine
CID 175231488
N,N-dimethylicosan-5-amine
CID 19862397
hexan-2-ol;pentan-2-ol
CID 88680973
N,N-diaminononan-5-amine
CID 88511755

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(octan-4-yl)amino]butan-1-ol?
The IUPAC name of 1-[methyl(octan-4-yl)amino]butan-1-ol (CID 88539765) is 1-[methyl(octan-4-yl)amino]butan-1-ol.
What is the SMILES notation for 1-[methyl(octan-4-yl)amino]butan-1-ol?
The canonical SMILES for 1-[methyl(octan-4-yl)amino]butan-1-ol is CCCCC(CCC)N(C)C(O)CCC.
What is the InChIKey of 1-[methyl(octan-4-yl)amino]butan-1-ol?
The InChIKey is CVVGJCOYQXWIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-8-11-12(9-6-2)14(4)13(15)10-7-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[methyl(octan-4-yl)amino]butan-1-ol?
1-[methyl(octan-4-yl)amino]butan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(octan-4-yl)amino]butan-1-ol is sourced from PubChem (CID 88539765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).