1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate

C9H16N2O2 — CID 70091384

IUPAC1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate
SMILESNC(=O)OCC12CCCN(CC1)C2
InChIInChI=1S/C9H16N2O2/c10-8(12)13-7-9-2-1-4-11(6-9)5-3-9/h1-7H2,(H2,10,12)
InChIKeyUTVCXXUALFQHCQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.57
Rot. Bonds2

About 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate

1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate (PubChem CID 70091384) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate
PubChem CID70091384
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate
SMILESNC(=O)OCC12CCCN(CC1)C2
InChIInChI=1S/C9H16N2O2/c10-8(12)13-7-9-2-1-4-11(6-9)5-3-9/h1-7H2,(H2,10,12)
InChIKeyUTVCXXUALFQHCQ-UHFFFAOYSA-N
XLogP0.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-azabicyclo[3.2.1]octan-5-yl)acetate
CID 19374778
2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid
CID 125454700
1-azabicyclo[2.2.1]heptan-4-ylmethylurea
CID 170615784
1,5-bis[1-azabicyclo[3.2.1]octan-5-ylmethyl(dimethyl)silyl]penta-1,4-diyn-3-one
CID 139729463
[1-(2-chloroacetyl)-4-methylazepan-4-yl]methyl carbamate
CID 175316865
(1-ethylcyclobutyl)methyl carbamate
CID 59266818
N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 10583285
1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
CID 59291257
(4-amino-1-adamantyl)methyl carbamate
CID 53261740
(2-methylpyrrolidin-2-yl)methyl carbamate
CID 175172887
(1-cyanocyclopropyl)methyl carbamate
CID 141209968
[1-(trifluoromethyl)cyclopropyl]methyl carbamate
CID 151400404

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate?
The IUPAC name of 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate (CID 70091384) is 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate is NC(=O)OCC12CCCN(CC1)C2.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate?
The InChIKey is UTVCXXUALFQHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-8(12)13-7-9-2-1-4-11(6-9)5-3-9/h1-7H2,(H2,10,12).
What are the key properties of 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate?
1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate has a molecular weight of 184.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate is sourced from PubChem (CID 70091384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).