2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol

C13H28N2O — CID 65103038

IUPAC2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
SMILESCC(C)N1CCCC(NCC(C)(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)15-8-5-6-12(7-9-15)14-10-13(3,4)16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyPLZKKSRZEUPEFS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol

2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol (PubChem CID 65103038) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
PubChem CID65103038
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
SMILESCC(C)N1CCCC(NCC(C)(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)15-8-5-6-12(7-9-15)14-10-13(3,4)16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyPLZKKSRZEUPEFS-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65107935
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 113261880
N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 115726046
2-N,2-N,2-trimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 28651810
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
CID 65074642
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol (CID 65103038) is 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol is CC(C)N1CCCC(NCC(C)(C)O)CC1.
What is the InChIKey of 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol?
The InChIKey is PLZKKSRZEUPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15-8-5-6-12(7-9-15)14-10-13(3,4)16/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol?
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol is sourced from PubChem (CID 65103038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).