[5-(aminomethyl)-2-adamantyl]carbamic acid

C12H20N2O2 — CID 67979666

IUPAC[5-(aminomethyl)-2-adamantyl]carbamic acid
SMILESNCC12CC3CC(C1)C(NC(=O)O)C(C3)C2
InChIInChI=1S/C12H20N2O2/c13-6-12-3-7-1-8(4-12)10(14-11(15)16)9(2-7)5-12/h7-10,14H,1-6,13H2,(H,15,16)
InChIKeyKUCBHFDPUJWCLV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.41
Rot. Bonds2

About [5-(aminomethyl)-2-adamantyl]carbamic acid

[5-(aminomethyl)-2-adamantyl]carbamic acid (PubChem CID 67979666) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [5-(aminomethyl)-2-adamantyl]carbamic acid.

Molecular Properties

Compound Name[5-(aminomethyl)-2-adamantyl]carbamic acid
PubChem CID67979666
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[5-(aminomethyl)-2-adamantyl]carbamic acid
SMILESNCC12CC3CC(C1)C(NC(=O)O)C(C3)C2
InChIInChI=1S/C12H20N2O2/c13-6-12-3-7-1-8(4-12)10(14-11(15)16)9(2-7)5-12/h7-10,14H,1-6,13H2,(H,15,16)
InChIKeyKUCBHFDPUJWCLV-UHFFFAOYSA-N
XLogP1.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [5-(aminomethyl)-2-adamantyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-adamantyl]carbamic acid?
The IUPAC name of [5-(aminomethyl)-2-adamantyl]carbamic acid (CID 67979666) is [5-(aminomethyl)-2-adamantyl]carbamic acid.
What is the SMILES notation for [5-(aminomethyl)-2-adamantyl]carbamic acid?
The canonical SMILES for [5-(aminomethyl)-2-adamantyl]carbamic acid is NCC12CC3CC(C1)C(NC(=O)O)C(C3)C2.
What is the InChIKey of [5-(aminomethyl)-2-adamantyl]carbamic acid?
The InChIKey is KUCBHFDPUJWCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-6-12-3-7-1-8(4-12)10(14-11(15)16)9(2-7)5-12/h7-10,14H,1-6,13H2,(H,15,16).
What are the key properties of [5-(aminomethyl)-2-adamantyl]carbamic acid?
[5-(aminomethyl)-2-adamantyl]carbamic acid has a molecular weight of 224.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-adamantyl]carbamic acid is sourced from PubChem (CID 67979666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).