1-amino-4,4-dimethylpentan-1-ol

C7H17NO — CID 88636806

IUPAC1-amino-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(N)O
InChIInChI=1S/C7H17NO/c1-7(2,3)5-4-6(8)9/h6,9H,4-5,8H2,1-3H3
InChIKeyFIQIKLHUKZCYNB-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.09
Rot. Bonds2

About 1-amino-4,4-dimethylpentan-1-ol

1-amino-4,4-dimethylpentan-1-ol (PubChem CID 88636806) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-amino-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-amino-4,4-dimethylpentan-1-ol
PubChem CID88636806
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-amino-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(N)O
InChIInChI=1S/C7H17NO/c1-7(2,3)5-4-6(8)9/h6,9H,4-5,8H2,1-3H3
InChIKeyFIQIKLHUKZCYNB-UHFFFAOYSA-N
XLogP1.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
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

2,2,8,8-tetramethylnonan-5-ol
CID 19931306
2,6,6-trimethylheptan-3-ol
CID 20577986
(4S)-4-amino-2,2,7,7-tetramethyloctan-3-one
CID 167383271
5,5-dimethyl-1-sulfanylhexan-2-ol
CID 54380478
6,6-dimethylheptan-3-amine;hydrochloride
CID 170889059
6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid
CID 87463257
4-amino-N-(5,5-dimethylhexan-2-yl)pentanamide;hydrochloride
CID 120563103
barium(2+);2-(3,3-dimethylbutyl)propanedioic acid;hydride
CID 174968731
2,2,3,7,7-pentamethyloctan-4-ol
CID 156689704
2-amino-6,6-dimethylheptan-1-ol
CID 88746496
5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
CID 160846124
1-cyclopropyl-4,4-dimethylpentan-1-ol
CID 62606898

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-amino-4,4-dimethylpentan-1-ol (CID 88636806) is 1-amino-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-amino-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-amino-4,4-dimethylpentan-1-ol is CC(C)(C)CCC(N)O.
What is the InChIKey of 1-amino-4,4-dimethylpentan-1-ol?
The InChIKey is FIQIKLHUKZCYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,3)5-4-6(8)9/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 1-amino-4,4-dimethylpentan-1-ol?
1-amino-4,4-dimethylpentan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 88636806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).