2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol

C16H26N2O — CID 64791529

IUPAC2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CN(C)c1cccc(C)c1)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-17-16(12-19,14-8-9-14)11-18(3)15-7-5-6-13(2)10-15/h5-7,10,14,17,19H,4,8-9,11-12H2,1-3H3
InChIKeyUCASMMDLKLFMQY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.18
Rot. Bonds7

About 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol

2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol (PubChem CID 64791529) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
PubChem CID64791529
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CN(C)c1cccc(C)c1)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-17-16(12-19,14-8-9-14)11-18(3)15-7-5-6-13(2)10-15/h5-7,10,14,17,19H,4,8-9,11-12H2,1-3H3
InChIKeyUCASMMDLKLFMQY-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N,3-dimethylanilino)-2-(ethylamino)-2-methylpropan-1-ol
CID 64792128
2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
CID 64825667
2-cyclopropyl-2-(ethylamino)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 64791730
2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol
CID 64791546
2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propan-1-ol
CID 64796545
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
CID 64802024
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-1-ol
CID 64826221
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
N,N',2,2-tetramethyl-N-(3-methylphenyl)propane-1,3-diamine
CID 62258877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol (CID 64791529) is 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol is CCNC(CO)(CN(C)c1cccc(C)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol?
The InChIKey is UCASMMDLKLFMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-16(12-19,14-8-9-14)11-18(3)15-7-5-6-13(2)10-15/h5-7,10,14,17,19H,4,8-9,11-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol?
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64791529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).