N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide

C13H26N2O — CID 116656255

IUPACN-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
SMILESCCN(C)C(=O)N1CCCC(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-14(4)13(16)15-9-6-7-12(8-10-15)11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyUTPDCDXNCCSWNI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.82
Rot. Bonds2

About N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide

N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide (PubChem CID 116656255) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
PubChem CID116656255
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
SMILESCCN(C)C(=O)N1CCCC(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-14(4)13(16)15-9-6-7-12(8-10-15)11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyUTPDCDXNCCSWNI-UHFFFAOYSA-N
XLogP2.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
N-ethyl-4-(ethylamino)-N-methylpiperidine-1-carboxamide
CID 79152490
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159759
N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide
CID 176982125
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
N-ethyl-N-methyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 116655848
3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79162356

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide?
The IUPAC name of N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide (CID 116656255) is N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide is CCN(C)C(=O)N1CCCC(C(C)C)CC1.
What is the InChIKey of N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide?
The InChIKey is UTPDCDXNCCSWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-14(4)13(16)15-9-6-7-12(8-10-15)11(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide?
N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide is sourced from PubChem (CID 116656255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).