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

C17H28N2O — CID 64810630

IUPAC3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
SMILESCCCCN(CC(C)(CO)NC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-4-12-19(16-8-6-5-7-9-16)13-17(2,14-20)18-15-10-11-15/h5-9,15,18,20H,3-4,10-14H2,1-2H3
InChIKeyMJZDVNBOJCZWIP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds9

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

3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol (PubChem CID 64810630) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
PubChem CID64810630
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
SMILESCCCCN(CC(C)(CO)NC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-4-12-19(16-8-6-5-7-9-16)13-17(2,14-20)18-15-10-11-15/h5-9,15,18,20H,3-4,10-14H2,1-2H3
InChIKeyMJZDVNBOJCZWIP-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
CID 64586599
5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810841
4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64811474
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol
CID 64795852
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
CID 64789739
2-(ethylamino)-5-(N-ethylanilino)-2-methylpentan-1-ol
CID 64796324
1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine
CID 64586766
2-amino-3-(N-butylanilino)-2-methylpropanamide
CID 64585233
N-butyl-N',2,2-trimethyl-N-phenylpropane-1,3-diamine
CID 64586402

Frequently Asked Questions

What is the IUPAC name of 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol (CID 64810630) is 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol is CCCCN(CC(C)(CO)NC1CC1)c1ccccc1.
What is the InChIKey of 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The InChIKey is MJZDVNBOJCZWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-12-19(16-8-6-5-7-9-16)13-17(2,14-20)18-15-10-11-15/h5-9,15,18,20H,3-4,10-14H2,1-2H3.
What are the key properties of 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol?
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 64810630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).