5-(butylamino)-2-methylpentan-1-ol

C10H23NO — CID 106158336

IUPAC5-(butylamino)-2-methylpentan-1-ol
SMILESCCCCNCCCC(C)CO
InChIInChI=1S/C10H23NO/c1-3-4-7-11-8-5-6-10(2)9-12/h10-12H,3-9H2,1-2H3
InChIKeyGZCGHPDAFGMVCC-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds8

About 5-(butylamino)-2-methylpentan-1-ol

5-(butylamino)-2-methylpentan-1-ol (PubChem CID 106158336) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 5-(butylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(butylamino)-2-methylpentan-1-ol
PubChem CID106158336
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name5-(butylamino)-2-methylpentan-1-ol
SMILESCCCCNCCCC(C)CO
InChIInChI=1S/C10H23NO/c1-3-4-7-11-8-5-6-10(2)9-12/h10-12H,3-9H2,1-2H3
InChIKeyGZCGHPDAFGMVCC-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
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

2-methylhexan-1-ol
CID 159157237
N-butyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 138527062
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
2-methyl-5-(nonan-2-ylamino)pentan-1-ol
CID 104862242
(2S,4S)-2,4-dimethyl-6-(octylamino)hexan-1-ol
CID 174260797
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
5-(hept-6-enylamino)-2-methylpentan-1-ol
CID 106160063
N-butylbutan-1-amine;propan-1-ol
CID 174657089
2,6-dimethyldodecan-1-ol
CID 14392571

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(butylamino)-2-methylpentan-1-ol (CID 106158336) is 5-(butylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(butylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(butylamino)-2-methylpentan-1-ol is CCCCNCCCC(C)CO.
What is the InChIKey of 5-(butylamino)-2-methylpentan-1-ol?
The InChIKey is GZCGHPDAFGMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-4-7-11-8-5-6-10(2)9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 5-(butylamino)-2-methylpentan-1-ol?
5-(butylamino)-2-methylpentan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 106158336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).