1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol

C9H22N2O — CID 149030140

IUPAC1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol
SMILESCNC(C)(C)CC(C)(C)C(N)O
InChIInChI=1S/C9H22N2O/c1-8(2,7(10)12)6-9(3,4)11-5/h7,11-12H,6,10H2,1-5H3
InChIKeyQFGYXRRBRSQKGY-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.68
Rot. Bonds4

About 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol

1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol (PubChem CID 149030140) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol
PubChem CID149030140
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol
SMILESCNC(C)(C)CC(C)(C)C(N)O
InChIInChI=1S/C9H22N2O/c1-8(2,7(10)12)6-9(3,4)11-5/h7,11-12H,6,10H2,1-5H3
InChIKeyQFGYXRRBRSQKGY-UHFFFAOYSA-N
XLogP0.68
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2,4,4-tetramethylpentan-2-amine
CID 20714825
2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010
6-N,2,4,4,6-pentamethylheptane-2,6-diamine
CID 146667491
4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine
CID 170060870
ethane;methanethiol;N,2,4,4-tetramethylpentan-2-amine
CID 164863368
1-aminopropane-1,2,2-triol
CID 89487611
3-N,3-dimethylbutane-1,3-diamine
CID 89269662
1-amino-3-methyl-3-(methylamino)butan-2-ol
CID 139754066
(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
CID 89174988
4,4-difluoro-N,2-dimethylbutan-2-amine
CID 134163311
1,3-diamino-2-(aminomethyl)-2-methylpropan-1-ol;hydrate
CID 139628665
3,3,5,5-tetramethyl-1-(methylamino)hexan-2-ol
CID 135134903

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol?
The IUPAC name of 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol (CID 149030140) is 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol.
What is the SMILES notation for 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol?
The canonical SMILES for 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol is CNC(C)(C)CC(C)(C)C(N)O.
What is the InChIKey of 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol?
The InChIKey is QFGYXRRBRSQKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(2,7(10)12)6-9(3,4)11-5/h7,11-12H,6,10H2,1-5H3.
What are the key properties of 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol?
1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol is sourced from PubChem (CID 149030140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).