(1-aminocycloheptyl)methyl propan-2-yl carbonate

C12H23NO3 — CID 79337960

IUPAC(1-aminocycloheptyl)methyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCC1(N)CCCCCC1
InChIInChI=1S/C12H23NO3/c1-10(2)16-11(14)15-9-12(13)7-5-3-4-6-8-12/h10H,3-9,13H2,1-2H3
InChIKeyMGYXCCHNCKNEPS-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.60
Rot. Bonds3

About (1-aminocycloheptyl)methyl propan-2-yl carbonate

(1-aminocycloheptyl)methyl propan-2-yl carbonate (PubChem CID 79337960) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (1-aminocycloheptyl)methyl propan-2-yl carbonate.

Molecular Properties

Compound Name(1-aminocycloheptyl)methyl propan-2-yl carbonate
PubChem CID79337960
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(1-aminocycloheptyl)methyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCC1(N)CCCCCC1
InChIInChI=1S/C12H23NO3/c1-10(2)16-11(14)15-9-12(13)7-5-3-4-6-8-12/h10H,3-9,13H2,1-2H3
InChIKeyMGYXCCHNCKNEPS-UHFFFAOYSA-N
XLogP2.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)methyl 2-methylpropyl carbonate
CID 79337036
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433
2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
CID 64551906
3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
CID 64574200
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylpropyl)propanamide
CID 64551905
(1-aminocyclohexyl)methyl N,N-diethylcarbamate
CID 79338374
(1-aminocyclopropyl)methyl acetate
CID 150213578
2-[(1-aminocycloheptyl)methoxy]-N-cyclopentylpropanamide
CID 64549979
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyacetamide
CID 119404527
2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
CID 64551486

Frequently Asked Questions

What is the IUPAC name of (1-aminocycloheptyl)methyl propan-2-yl carbonate?
The IUPAC name of (1-aminocycloheptyl)methyl propan-2-yl carbonate (CID 79337960) is (1-aminocycloheptyl)methyl propan-2-yl carbonate.
What is the SMILES notation for (1-aminocycloheptyl)methyl propan-2-yl carbonate?
The canonical SMILES for (1-aminocycloheptyl)methyl propan-2-yl carbonate is CC(C)OC(=O)OCC1(N)CCCCCC1.
What is the InChIKey of (1-aminocycloheptyl)methyl propan-2-yl carbonate?
The InChIKey is MGYXCCHNCKNEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)16-11(14)15-9-12(13)7-5-3-4-6-8-12/h10H,3-9,13H2,1-2H3.
What are the key properties of (1-aminocycloheptyl)methyl propan-2-yl carbonate?
(1-aminocycloheptyl)methyl propan-2-yl carbonate has a molecular weight of 229.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocycloheptyl)methyl propan-2-yl carbonate is sourced from PubChem (CID 79337960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).