2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide

C15H28N4O2 — CID 64552519

IUPAC2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCC1CCCC(N)(C(=O)N2CCCN(CC(N)=O)CC2)C1
InChIInChI=1S/C15H28N4O2/c1-12-4-2-5-15(17,10-12)14(21)19-7-3-6-18(8-9-19)11-13(16)20/h12H,2-11,17H2,1H3,(H2,16,20)
InChIKeyGXBFLPNAVRVBIZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.09
Rot. Bonds3

About 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide

2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 64552519) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID64552519
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCC1CCCC(N)(C(=O)N2CCCN(CC(N)=O)CC2)C1
InChIInChI=1S/C15H28N4O2/c1-12-4-2-5-15(17,10-12)14(21)19-7-3-6-18(8-9-19)11-13(16)20/h12H,2-11,17H2,1H3,(H2,16,20)
InChIKeyGXBFLPNAVRVBIZ-UHFFFAOYSA-N
XLogP-0.09
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid
CID 64555062
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide
CID 64551452
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
(1-amino-3-methylcyclohexyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810951
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888929
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 64554425
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
2-[4-(1-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119844150
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 47078407
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide (CID 64552519) is 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide is CC1CCCC(N)(C(=O)N2CCCN(CC(N)=O)CC2)C1.
What is the InChIKey of 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is GXBFLPNAVRVBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12-4-2-5-15(17,10-12)14(21)19-7-3-6-18(8-9-19)11-13(16)20/h12H,2-11,17H2,1H3,(H2,16,20).
What are the key properties of 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 296.42 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 64552519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).