3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride

C13H27ClN2O — CID 119326035

IUPAC3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride
SMILESCC(C)(C)C1CCCN(C(=O)CCN)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-13(2,3)11-5-4-9-15(10-7-11)12(16)6-8-14;/h11H,4-10,14H2,1-3H3;1H
InChIKeyHTGHPDNRDUGHQD-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.43
Rot. Bonds2

About 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride

3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride (PubChem CID 119326035) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride
PubChem CID119326035
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride
SMILESCC(C)(C)C1CCCN(C(=O)CCN)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-13(2,3)11-5-4-9-15(10-7-11)12(16)6-8-14;/h11H,4-10,14H2,1-3H3;1H
InChIKeyHTGHPDNRDUGHQD-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-1-(4-tert-butylazepan-1-yl)propan-1-one
CID 120610844
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
1-[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]-3-chloropropan-1-one
CID 165439353
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
4-tert-butyl-N-methylazepane-1-carboxamide
CID 115631035
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-tert-butylazepan-1-yl)methanone;hydrochloride
CID 119787768
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride (CID 119326035) is 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride is CC(C)(C)C1CCCN(C(=O)CCN)CC1.Cl.
What is the InChIKey of 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride?
The InChIKey is HTGHPDNRDUGHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-13(2,3)11-5-4-9-15(10-7-11)12(16)6-8-14;/h11H,4-10,14H2,1-3H3;1H.
What are the key properties of 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride?
3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119326035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).