4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol

C16H31N3O — CID 158773745

IUPAC4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol
SMILESCCC(C)Nc1ccc(N(N)C(C)CC)cc1.CCO
InChIInChI=1S/C14H25N3.C2H6O/c1-5-11(3)16-13-7-9-14(10-8-13)17(15)12(4)6-2;1-2-3/h7-12,16H,5-6,15H2,1-4H3;3H,2H2,1H3
InChIKeyIQFBCAPLZPJZFW-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.37
Rot. Bonds6

About 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol

4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol (PubChem CID 158773745) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol.

Molecular Properties

Compound Name4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol
PubChem CID158773745
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol
SMILESCCC(C)Nc1ccc(N(N)C(C)CC)cc1.CCO
InChIInChI=1S/C14H25N3.C2H6O/c1-5-11(3)16-13-7-9-14(10-8-13)17(15)12(4)6-2;1-2-3/h7-12,16H,5-6,15H2,1-4H3;3H,2H2,1H3
InChIKeyIQFBCAPLZPJZFW-UHFFFAOYSA-N
XLogP3.37
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine
CID 21339527
N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide
CID 115927646
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
CID 19805826
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 43680171
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide
CID 138631823
4-[4-(dimethylamino)anilino]pentan-1-ol
CID 115976111
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653

Frequently Asked Questions

What is the IUPAC name of 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol?
The IUPAC name of 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol (CID 158773745) is 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol.
What is the SMILES notation for 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol?
The canonical SMILES for 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol is CCC(C)Nc1ccc(N(N)C(C)CC)cc1.CCO.
What is the InChIKey of 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol?
The InChIKey is IQFBCAPLZPJZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3.C2H6O/c1-5-11(3)16-13-7-9-14(10-8-13)17(15)12(4)6-2;1-2-3/h7-12,16H,5-6,15H2,1-4H3;3H,2H2,1H3.
What are the key properties of 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol?
4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol has a molecular weight of 281.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol is sourced from PubChem (CID 158773745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).