5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol

C14H24N2O — CID 106141231

IUPAC5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol
SMILESCc1cc(NCC(C)(C)CCCO)ccc1N
InChIInChI=1S/C14H24N2O/c1-11-9-12(5-6-13(11)15)16-10-14(2,3)7-4-8-17/h5-6,9,16-17H,4,7-8,10,15H2,1-3H3
InChIKeyYDODCXOCTWUEAG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.79
Rot. Bonds6

About 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol

5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol (PubChem CID 106141231) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol
PubChem CID106141231
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol
SMILESCc1cc(NCC(C)(C)CCCO)ccc1N
InChIInChI=1S/C14H24N2O/c1-11-9-12(5-6-13(11)15)16-10-14(2,3)7-4-8-17/h5-6,9,16-17H,4,7-8,10,15H2,1-3H3
InChIKeyYDODCXOCTWUEAG-UHFFFAOYSA-N
XLogP2.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140683
5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol
CID 106141163
4,4-dimethyl-5-(4-methyl-3-nitroanilino)pentan-1-ol
CID 106145258
2-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]benzoic acid
CID 106149542
3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115358124
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
2-methyl-4-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,4-diamine
CID 79558680
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 106140140
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141303
4-(3-amino-4-nitroanilino)-3,3-dimethylbutan-1-ol
CID 106148897
5-(2-amino-6-chloroanilino)-4,4-dimethylpentan-1-ol
CID 114148997

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol (CID 106141231) is 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol is Cc1cc(NCC(C)(C)CCCO)ccc1N.
What is the InChIKey of 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol?
The InChIKey is YDODCXOCTWUEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-9-12(5-6-13(11)15)16-10-14(2,3)7-4-8-17/h5-6,9,16-17H,4,7-8,10,15H2,1-3H3.
What are the key properties of 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol?
5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106141231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).