2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol

C17H28N2O — CID 64795852

IUPAC2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol
SMILESCN(CCCCC(C)(CO)NC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(14-20,18-15-10-11-15)12-6-7-13-19(2)16-8-4-3-5-9-16/h3-5,8-9,15,18,20H,6-7,10-14H2,1-2H3
InChIKeySWUSSHJRQXQCMC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol

2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol (PubChem CID 64795852) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol
PubChem CID64795852
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol
SMILESCN(CCCCC(C)(CO)NC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(14-20,18-15-10-11-15)12-6-7-13-19(2)16-8-4-3-5-9-16/h3-5,8-9,15,18,20H,6-7,10-14H2,1-2H3
InChIKeySWUSSHJRQXQCMC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol (CID 64795852) is 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol is CN(CCCCC(C)(CO)NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol?
The InChIKey is SWUSSHJRQXQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(14-20,18-15-10-11-15)12-6-7-13-19(2)16-8-4-3-5-9-16/h3-5,8-9,15,18,20H,6-7,10-14H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol?
2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-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 2-(cyclopropylamino)-2-methyl-6-(N-methylanilino)hexan-1-ol is sourced from PubChem (CID 64795852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).