phenyl N-(2-aminocycloheptyl)carbamate

C14H20N2O2 — CID 63259010

IUPACphenyl N-(2-aminocycloheptyl)carbamate
SMILESNC1CCCCCC1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H20N2O2/c15-12-9-5-2-6-10-13(12)16-14(17)18-11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2,(H,16,17)
InChIKeyAPVRSWSAVBNBNW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.43
Rot. Bonds2

About phenyl N-(2-aminocycloheptyl)carbamate

phenyl N-(2-aminocycloheptyl)carbamate (PubChem CID 63259010) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is phenyl N-(2-aminocycloheptyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-aminocycloheptyl)carbamate
PubChem CID63259010
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namephenyl N-(2-aminocycloheptyl)carbamate
SMILESNC1CCCCCC1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H20N2O2/c15-12-9-5-2-6-10-13(12)16-14(17)18-11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2,(H,16,17)
InChIKeyAPVRSWSAVBNBNW-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
phenyl N-cyclooctylcarbamate
CID 60636968
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
phenyl N-cyclopentylcarbamate
CID 12791466
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-(oxan-4-yl)carbamate
CID 61067434
N-(2-aminocyclohexyl)-2-hydroxy-2-phenylacetamide
CID 54905053
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708325

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-aminocycloheptyl)carbamate?
The IUPAC name of phenyl N-(2-aminocycloheptyl)carbamate (CID 63259010) is phenyl N-(2-aminocycloheptyl)carbamate.
What is the SMILES notation for phenyl N-(2-aminocycloheptyl)carbamate?
The canonical SMILES for phenyl N-(2-aminocycloheptyl)carbamate is NC1CCCCCC1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-aminocycloheptyl)carbamate?
The InChIKey is APVRSWSAVBNBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-9-5-2-6-10-13(12)16-14(17)18-11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,15H2,(H,16,17).
What are the key properties of phenyl N-(2-aminocycloheptyl)carbamate?
phenyl N-(2-aminocycloheptyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-aminocycloheptyl)carbamate is sourced from PubChem (CID 63259010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).