4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide

C15H31N3O — CID 66428208

IUPAC4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)12-6-5-8-18(9-7-12)13(11-16)10-14(19)17-4/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyXUYRKHXHFFHVEZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds4

About 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide

4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide (PubChem CID 66428208) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
PubChem CID66428208
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)12-6-5-8-18(9-7-12)13(11-16)10-14(19)17-4/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyXUYRKHXHFFHVEZ-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(4-tert-butylpiperidin-1-yl)butanamide
CID 66426477
2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine
CID 106675715
4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66429992
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
CID 66427386
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-methylbutanamide
CID 66428846
3-(4-tert-butylpiperidin-1-yl)pentanoic acid
CID 63067950
4-amino-N-cyclopropyl-3-piperidin-1-ylbutanamide
CID 66431608
ethyl 2-(4-tert-butylazepan-1-yl)butanoate
CID 64661071
4-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-tert-butylbutanamide
CID 66431026
4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66426900
4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide
CID 107391498
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbutanamide
CID 107454308

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide?
The IUPAC name of 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide (CID 66428208) is 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide is CNC(=O)CC(CN)N1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide?
The InChIKey is XUYRKHXHFFHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,3)12-6-5-8-18(9-7-12)13(11-16)10-14(19)17-4/h12-13H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide?
4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide is sourced from PubChem (CID 66428208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).