2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone

C18H34N2O — CID 65242623

IUPAC2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone
SMILESCNC1(CC(=O)N2CCCC(C(C)C)CC2)CCCCC1
InChIInChI=1S/C18H34N2O/c1-15(2)16-8-7-12-20(13-9-16)17(21)14-18(19-3)10-5-4-6-11-18/h15-16,19H,4-14H2,1-3H3
InChIKeyINNQTPXFYJRBMJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.58
Rot. Bonds4

About 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone

2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone (PubChem CID 65242623) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone
PubChem CID65242623
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone
SMILESCNC1(CC(=O)N2CCCC(C(C)C)CC2)CCCCC1
InChIInChI=1S/C18H34N2O/c1-15(2)16-8-7-12-20(13-9-16)17(21)14-18(19-3)10-5-4-6-11-18/h15-16,19H,4-14H2,1-3H3
InChIKeyINNQTPXFYJRBMJ-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103495472
2-[1-[2-[1-(methylamino)cyclohexyl]acetyl]piperidin-4-yl]acetamide
CID 65241922
N-methyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]piperidine-3-carboxamide
CID 103195278
2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79842703
1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65242450
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
N-methyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 65242353
1-(2-ethylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65240974
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
methyl 1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylate
CID 65242396

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone (CID 65242623) is 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone is CNC1(CC(=O)N2CCCC(C(C)C)CC2)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone?
The InChIKey is INNQTPXFYJRBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)16-8-7-12-20(13-9-16)17(21)14-18(19-3)10-5-4-6-11-18/h15-16,19H,4-14H2,1-3H3.
What are the key properties of 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone?
2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone has a molecular weight of 294.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone is sourced from PubChem (CID 65242623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).