3-(3-aminoanilino)-3-methylpentan-1-ol

C12H20N2O — CID 106167043

IUPAC3-(3-aminoanilino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cccc(N)c1
InChIInChI=1S/C12H20N2O/c1-3-12(2,7-8-15)14-11-6-4-5-10(13)9-11/h4-6,9,14-15H,3,7-8,13H2,1-2H3
InChIKeyPVFCJTXUIITISQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.23
Rot. Bonds5

About 3-(3-aminoanilino)-3-methylpentan-1-ol

3-(3-aminoanilino)-3-methylpentan-1-ol (PubChem CID 106167043) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(3-aminoanilino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(3-aminoanilino)-3-methylpentan-1-ol
PubChem CID106167043
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-(3-aminoanilino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cccc(N)c1
InChIInChI=1S/C12H20N2O/c1-3-12(2,7-8-15)14-11-6-4-5-10(13)9-11/h4-6,9,14-15H,3,7-8,13H2,1-2H3
InChIKeyPVFCJTXUIITISQ-UHFFFAOYSA-N
XLogP2.23
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.23
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

3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol
CID 106166911
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol
CID 106167028
3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
CID 106167096
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 106171147
3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171463
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol
CID 106166860
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171205
N-(3-methylpentan-3-yl)-3-methylsulfanylaniline
CID 146436544

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoanilino)-3-methylpentan-1-ol?
The IUPAC name of 3-(3-aminoanilino)-3-methylpentan-1-ol (CID 106167043) is 3-(3-aminoanilino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(3-aminoanilino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(3-aminoanilino)-3-methylpentan-1-ol is CCC(C)(CCO)Nc1cccc(N)c1.
What is the InChIKey of 3-(3-aminoanilino)-3-methylpentan-1-ol?
The InChIKey is PVFCJTXUIITISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-12(2,7-8-15)14-11-6-4-5-10(13)9-11/h4-6,9,14-15H,3,7-8,13H2,1-2H3.
What are the key properties of 3-(3-aminoanilino)-3-methylpentan-1-ol?
3-(3-aminoanilino)-3-methylpentan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoanilino)-3-methylpentan-1-ol is sourced from PubChem (CID 106167043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).