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

C14H30N2O — CID 115475343

IUPAC1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)CNC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-12-6-5-8-16(9-7-12)11-13(17)10-15-14(2,3)4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyWYUQIYLKUSGJHQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds4

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

1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol (PubChem CID 115475343) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
PubChem CID115475343
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)CNC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-12-6-5-8-16(9-7-12)11-13(17)10-15-14(2,3)4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyWYUQIYLKUSGJHQ-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 115475401
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
CID 63622402
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989
1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 115475429
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol (CID 115475343) is 1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol is CC1CCCN(CC(O)CNC(C)(C)C)CC1.
What is the InChIKey of 1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol?
The InChIKey is WYUQIYLKUSGJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12-6-5-8-16(9-7-12)11-13(17)10-15-14(2,3)4/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol?
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 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-methylazepan-1-yl)propan-2-ol is sourced from PubChem (CID 115475343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).