(4-amino-1-adamantyl)methyl carbamate

C12H20N2O2 — CID 53261740

IUPAC(4-amino-1-adamantyl)methyl carbamate
SMILESNC(=O)OCC12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C12H20N2O2/c13-10-8-1-7-2-9(10)5-12(3-7,4-8)6-16-11(14)15/h7-10H,1-6,13H2,(H2,14,15)
InChIKeyXLSVFPOSEWTZQB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.24
Rot. Bonds2

About (4-amino-1-adamantyl)methyl carbamate

(4-amino-1-adamantyl)methyl carbamate (PubChem CID 53261740) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (4-amino-1-adamantyl)methyl carbamate.

Molecular Properties

Compound Name(4-amino-1-adamantyl)methyl carbamate
PubChem CID53261740
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(4-amino-1-adamantyl)methyl carbamate
SMILESNC(=O)OCC12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C12H20N2O2/c13-10-8-1-7-2-9(10)5-12(3-7,4-8)6-16-11(14)15/h7-10H,1-6,13H2,(H2,14,15)
InChIKeyXLSVFPOSEWTZQB-UHFFFAOYSA-N
XLogP1.24
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-1-adamantyl)methyl 2,2-dimethylbutanoate
CID 59229073
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
[(3S,5S)-4-amino-1-adamantyl] acetate
CID 124670212
1-adamantylmethyl 2-bromo-2-methylpropanoate
CID 102412153
4-aminoadamantane-1-carboxylic acid;hydrochloride
CID 67549103
2-(1-adamantylmethoxycarbonyloxy)-1,1-difluoroethanesulfonic acid
CID 88879168
2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-methylpropan-2-amine
CID 87359948
1-adamantylmethyl 2-fluoro-2-methylpropanoate
CID 59602420
1-adamantylmethyl 2-chloro-2-methylpropanoate
CID 169075793
1-adamantylmethyl ethenyl carbonate
CID 70305959
(4-amino-1-adamantyl)-butylcarbamic acid
CID 123216217
1-adamantylmethyl 2-(2-chloroacetyl)oxyacetate
CID 58106016

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-adamantyl)methyl carbamate?
The IUPAC name of (4-amino-1-adamantyl)methyl carbamate (CID 53261740) is (4-amino-1-adamantyl)methyl carbamate.
What is the SMILES notation for (4-amino-1-adamantyl)methyl carbamate?
The canonical SMILES for (4-amino-1-adamantyl)methyl carbamate is NC(=O)OCC12CC3CC(C1)C(N)C(C3)C2.
What is the InChIKey of (4-amino-1-adamantyl)methyl carbamate?
The InChIKey is XLSVFPOSEWTZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-10-8-1-7-2-9(10)5-12(3-7,4-8)6-16-11(14)15/h7-10H,1-6,13H2,(H2,14,15).
What are the key properties of (4-amino-1-adamantyl)methyl carbamate?
(4-amino-1-adamantyl)methyl carbamate has a molecular weight of 224.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-adamantyl)methyl carbamate is sourced from PubChem (CID 53261740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).