2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide

C14H29N3O — CID 64704813

IUPAC2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
SMILESCNC(C)(CC(C)N1CCCC(C)CC1)C(N)=O
InChIInChI=1S/C14H29N3O/c1-11-6-5-8-17(9-7-11)12(2)10-14(3,16-4)13(15)18/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyXWLPEEAZBQFDOC-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds5

About 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide

2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide (PubChem CID 64704813) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
PubChem CID64704813
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
SMILESCNC(C)(CC(C)N1CCCC(C)CC1)C(N)=O
InChIInChI=1S/C14H29N3O/c1-11-6-5-8-17(9-7-11)12(2)10-14(3,16-4)13(15)18/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyXWLPEEAZBQFDOC-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentan-1-ol
CID 64789181
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 64705176
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 102727993
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 64704195
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709380
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710220
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide?
The IUPAC name of 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide (CID 64704813) is 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide is CNC(C)(CC(C)N1CCCC(C)CC1)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide?
The InChIKey is XWLPEEAZBQFDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11-6-5-8-17(9-7-11)12(2)10-14(3,16-4)13(15)18/h11-12,16H,5-10H2,1-4H3,(H2,15,18).
What are the key properties of 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide?
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide is sourced from PubChem (CID 64704813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).