6-amino-2-methyl-N-(oxan-4-yl)heptanamide

C13H26N2O2 — CID 65290448

IUPAC6-amino-2-methyl-N-(oxan-4-yl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-10(4-3-5-11(2)14)13(16)15-12-6-8-17-9-7-12/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyNDHYODVWZYVWTC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds6

About 6-amino-2-methyl-N-(oxan-4-yl)heptanamide

6-amino-2-methyl-N-(oxan-4-yl)heptanamide (PubChem CID 65290448) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(oxan-4-yl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(oxan-4-yl)heptanamide
PubChem CID65290448
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-amino-2-methyl-N-(oxan-4-yl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-10(4-3-5-11(2)14)13(16)15-12-6-8-17-9-7-12/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyNDHYODVWZYVWTC-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(4-aminocyclohexyl)-2-methylheptanamide
CID 65291413
6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide
CID 65292005
2-methyl-3-(methylamino)-N-(oxan-4-yl)propanamide
CID 79195500
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
6-amino-N-(dicyclopropylmethyl)-2-methylheptanamide
CID 65291779
1-(4-aminopentyl)-3-(oxolan-3-yl)urea
CID 106125032
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide
CID 114629788
oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
5-amino-N-cyclopropylhexanamide
CID 82848782

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(oxan-4-yl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(oxan-4-yl)heptanamide (CID 65290448) is 6-amino-2-methyl-N-(oxan-4-yl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(oxan-4-yl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(oxan-4-yl)heptanamide is CC(N)CCCC(C)C(=O)NC1CCOCC1.
What is the InChIKey of 6-amino-2-methyl-N-(oxan-4-yl)heptanamide?
The InChIKey is NDHYODVWZYVWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(4-3-5-11(2)14)13(16)15-12-6-8-17-9-7-12/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 6-amino-2-methyl-N-(oxan-4-yl)heptanamide?
6-amino-2-methyl-N-(oxan-4-yl)heptanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(oxan-4-yl)heptanamide is sourced from PubChem (CID 65290448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).