2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol

C16H26N2O — CID 64789346

IUPAC2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol
SMILESCc1ccccc1N(C)CCC(C)(CO)NC1CC1
InChIInChI=1S/C16H26N2O/c1-13-6-4-5-7-15(13)18(3)11-10-16(2,12-19)17-14-8-9-14/h4-7,14,17,19H,8-12H2,1-3H3
InChIKeyMARMBRYQTVZMJD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds7

About 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol

2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol (PubChem CID 64789346) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol
PubChem CID64789346
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol
SMILESCc1ccccc1N(C)CCC(C)(CO)NC1CC1
InChIInChI=1S/C16H26N2O/c1-13-6-4-5-7-15(13)18(3)11-10-16(2,12-19)17-14-8-9-14/h4-7,14,17,19H,8-12H2,1-3H3
InChIKeyMARMBRYQTVZMJD-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol (CID 64789346) is 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol is Cc1ccccc1N(C)CCC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol?
The InChIKey is MARMBRYQTVZMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-4-5-7-15(13)18(3)11-10-16(2,12-19)17-14-8-9-14/h4-7,14,17,19H,8-12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol?
2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(N,2-dimethylanilino)-2-methylbutan-1-ol is sourced from PubChem (CID 64789346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).