(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H28N2O2 — CID 107404307

IUPAC(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCCCCC2N)CC1
InChIInChI=1S/C15H28N2O2/c1-15(19)8-5-10-17(11-9-15)14(18)12-6-3-2-4-7-13(12)16/h12-13,19H,2-11,16H2,1H3
InChIKeyVLZGNDUIIUNZKQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.66
Rot. Bonds1

About (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404307) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404307
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCCCCC2N)CC1
InChIInChI=1S/C15H28N2O2/c1-15(19)8-5-10-17(11-9-15)14(18)12-6-3-2-4-7-13(12)16/h12-13,19H,2-11,16H2,1H3
InChIKeyVLZGNDUIIUNZKQ-UHFFFAOYSA-N
XLogP1.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 107404728
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810965
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406843
[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404369
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
(2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107218851
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 81115944
1-(4-hydroxy-4-methylazepane-1-carbonyl)azetidine-3-carboxylic acid
CID 107405522

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404307) is (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2CCCCCC2N)CC1.
What is the InChIKey of (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is VLZGNDUIIUNZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(19)8-5-10-17(11-9-15)14(18)12-6-3-2-4-7-13(12)16/h12-13,19H,2-11,16H2,1H3.
What are the key properties of (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).