1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol

C16H26N2O — CID 64585186

IUPAC1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol
SMILESCCCCN(CC(O)CNC1CC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-11-18(15-7-5-4-6-8-15)13-16(19)12-17-14-9-10-14/h4-8,14,16-17,19H,2-3,9-13H2,1H3
InChIKeyVGYGBJXGYCITBE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds9

About 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol

1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol (PubChem CID 64585186) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol
PubChem CID64585186
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol
SMILESCCCCN(CC(O)CNC1CC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-11-18(15-7-5-4-6-8-15)13-16(19)12-17-14-9-10-14/h4-8,14,16-17,19H,2-3,9-13H2,1H3
InChIKeyVGYGBJXGYCITBE-UHFFFAOYSA-N
XLogP2.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(N-butylanilino)butan-2-ol
CID 63102235
N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
CID 64586599
N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine
CID 104746537
N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
2-(N-butylanilino)-1-(4-methylphenyl)ethanol
CID 64585032
N-butyl-N-(2-methylpentyl)aniline
CID 23123551
N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline
CID 64586215
1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
CID 64585190
N-[(2-aminocyclohexyl)methyl]-N-butylaniline
CID 64584073

Frequently Asked Questions

What is the IUPAC name of 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol (CID 64585186) is 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol is CCCCN(CC(O)CNC1CC1)c1ccccc1.
What is the InChIKey of 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol?
The InChIKey is VGYGBJXGYCITBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-11-18(15-7-5-4-6-8-15)13-16(19)12-17-14-9-10-14/h4-8,14,16-17,19H,2-3,9-13H2,1H3.
What are the key properties of 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol?
1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 64585186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).