4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol

C12H27NO — CID 103578749

IUPAC4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
SMILESCC(C)CCNCC(C)(C)CCCO
InChIInChI=1S/C12H27NO/c1-11(2)6-8-13-10-12(3,4)7-5-9-14/h11,13-14H,5-10H2,1-4H3
InChIKeyXGUJANLVHHKNHL-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds8

About 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol

4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol (PubChem CID 103578749) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
PubChem CID103578749
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
SMILESCC(C)CCNCC(C)(C)CCCO
InChIInChI=1S/C12H27NO/c1-11(2)6-8-13-10-12(3,4)7-5-9-14/h11,13-14H,5-10H2,1-4H3
InChIKeyXGUJANLVHHKNHL-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.42
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

5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 138459549
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
CID 106147175
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol (CID 103578749) is 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol is CC(C)CCNCC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol?
The InChIKey is XGUJANLVHHKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2)6-8-13-10-12(3,4)7-5-9-14/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol?
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol is sourced from PubChem (CID 103578749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).