2-(oxolan-2-ylmethylamino)heptanamide

C12H24N2O2 — CID 61006217

IUPAC2-(oxolan-2-ylmethylamino)heptanamide
SMILESCCCCCC(NCC1CCCO1)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-2-3-4-7-11(12(13)15)14-9-10-6-5-8-16-10/h10-11,14H,2-9H2,1H3,(H2,13,15)
InChIKeyRPGRCAPLVKILBG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds8

About 2-(oxolan-2-ylmethylamino)heptanamide

2-(oxolan-2-ylmethylamino)heptanamide (PubChem CID 61006217) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)heptanamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)heptanamide
PubChem CID61006217
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(oxolan-2-ylmethylamino)heptanamide
SMILESCCCCCC(NCC1CCCO1)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-2-3-4-7-11(12(13)15)14-9-10-6-5-8-16-10/h10-11,14H,2-9H2,1H3,(H2,13,15)
InChIKeyRPGRCAPLVKILBG-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-2-ylmethylamino)hexanoic acid
CID 103243520
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide
CID 106495560
2-(oxolan-2-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 82837199
methyl 4-ethylsulfanyl-2-(oxolan-2-ylmethylamino)butanoate
CID 116504345
2-bromo-N-(oxolan-2-ylmethyl)hexanamide
CID 110839202
ethyl 3-methyl-2-(oxolan-2-ylmethylamino)but-3-enoate
CID 114784517
4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
CID 55144151
2-(propylamino)nonanamide
CID 60796532
2-(tridecylamino)octanamide
CID 154123950
2-(propylamino)octanamide
CID 60795649

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)heptanamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)heptanamide (CID 61006217) is 2-(oxolan-2-ylmethylamino)heptanamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)heptanamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)heptanamide is CCCCCC(NCC1CCCO1)C(N)=O.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)heptanamide?
The InChIKey is RPGRCAPLVKILBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-7-11(12(13)15)14-9-10-6-5-8-16-10/h10-11,14H,2-9H2,1H3,(H2,13,15).
What are the key properties of 2-(oxolan-2-ylmethylamino)heptanamide?
2-(oxolan-2-ylmethylamino)heptanamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)heptanamide is sourced from PubChem (CID 61006217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).