[3-(aminomethyl)-1-adamantyl]methanamine

C12H22N2 — CID 658273

IUPAC[3-(aminomethyl)-1-adamantyl]methanamine
SMILESNCC12CC3CC(C1)CC(CN)(C3)C2
InChIInChI=1S/C12H22N2/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14/h9-10H,1-8,13-14H2
InChIKeyRXEAFMOPSFWZFL-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.49
Rot. Bonds2

About [3-(aminomethyl)-1-adamantyl]methanamine

[3-(aminomethyl)-1-adamantyl]methanamine (PubChem CID 658273) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is [3-(aminomethyl)-1-adamantyl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-1-adamantyl]methanamine
PubChem CID658273
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name[3-(aminomethyl)-1-adamantyl]methanamine
SMILESNCC12CC3CC(C1)CC(CN)(C3)C2
InChIInChI=1S/C12H22N2/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14/h9-10H,1-8,13-14H2
InChIKeyRXEAFMOPSFWZFL-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-1-adamantyl]methanamine?
The IUPAC name of [3-(aminomethyl)-1-adamantyl]methanamine (CID 658273) is [3-(aminomethyl)-1-adamantyl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-1-adamantyl]methanamine?
The canonical SMILES for [3-(aminomethyl)-1-adamantyl]methanamine is NCC12CC3CC(C1)CC(CN)(C3)C2.
What is the InChIKey of [3-(aminomethyl)-1-adamantyl]methanamine?
The InChIKey is RXEAFMOPSFWZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14/h9-10H,1-8,13-14H2.
What are the key properties of [3-(aminomethyl)-1-adamantyl]methanamine?
[3-(aminomethyl)-1-adamantyl]methanamine has a molecular weight of 194.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-1-adamantyl]methanamine is sourced from PubChem (CID 658273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).