1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol

C15H32N2O — CID 115475401

IUPAC1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
SMILESCC1(C)CCCN(CC(O)CNC(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-14(2,3)16-11-13(18)12-17-9-6-7-15(4,5)8-10-17/h13,16,18H,6-12H2,1-5H3
InChIKeyOWIVOXGDYORQLB-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds4

About 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol

1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol (PubChem CID 115475401) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
PubChem CID115475401
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
SMILESCC1(C)CCCN(CC(O)CNC(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-14(2,3)16-11-13(18)12-17-9-6-7-15(4,5)8-10-17/h13,16,18H,6-12H2,1-5H3
InChIKeyOWIVOXGDYORQLB-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
CID 65282402
3-(4,4-dimethylazepan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65282401
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 111462765
1-(2,2-dimethoxyethyl)-4,4-dimethylazepane
CID 66222358
1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
CID 114449017
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 115475429
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol (CID 115475401) is 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol is CC1(C)CCCN(CC(O)CNC(C)(C)C)CC1.
What is the InChIKey of 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol?
The InChIKey is OWIVOXGDYORQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2,3)16-11-13(18)12-17-9-6-7-15(4,5)8-10-17/h13,16,18H,6-12H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol?
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol is sourced from PubChem (CID 115475401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).