4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol

C14H24N2O — CID 79359729

IUPAC4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CCCN)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-14(2,17)9-12-16(11-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,17H,6,9-12,15H2,1-2H3
InChIKeyXBGXPAGUGKIYKI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.00
Rot. Bonds7

About 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol

4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol (PubChem CID 79359729) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
PubChem CID79359729
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CCCN)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-14(2,17)9-12-16(11-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,17H,6,9-12,15H2,1-2H3
InChIKeyXBGXPAGUGKIYKI-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
CID 79359732
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
1-[N-(3-aminopropyl)anilino]propan-2-ol
CID 65277240
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
4-(N-butylanilino)-2,2-dimethylbutanimidamide
CID 65252661
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
N'-(3,3-dimethylbutyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 54958186

Frequently Asked Questions

What is the IUPAC name of 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol?
The IUPAC name of 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol (CID 79359729) is 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol is CC(C)(O)CCN(CCCN)c1ccccc1.
What is the InChIKey of 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol?
The InChIKey is XBGXPAGUGKIYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,17)9-12-16(11-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,17H,6,9-12,15H2,1-2H3.
What are the key properties of 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol?
4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol is sourced from PubChem (CID 79359729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).