(5S,7R)-3-(aminomethyl)adamantan-1-amine

C11H20N2 — CID 818515

IUPAC(5S,7R)-3-(aminomethyl)adamantan-1-amine
SMILESNCC12C[C@@H]3C[C@@H](CC(N)(C3)C1)C2
InChIInChI=1S/C11H20N2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7,12-13H2/t8-,9+,10?,11?
InChIKeyYKVYOMBTOSDEKX-IXBNRNDTSA-N
MW180.29 g/mol
LogP1.24
Rot. Bonds1

About (5S,7R)-3-(aminomethyl)adamantan-1-amine

(5S,7R)-3-(aminomethyl)adamantan-1-amine (PubChem CID 818515) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (5S,7R)-3-(aminomethyl)adamantan-1-amine.

Molecular Properties

Compound Name(5S,7R)-3-(aminomethyl)adamantan-1-amine
PubChem CID818515
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(5S,7R)-3-(aminomethyl)adamantan-1-amine
SMILESNCC12C[C@@H]3C[C@@H](CC(N)(C3)C1)C2
InChIInChI=1S/C11H20N2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7,12-13H2/t8-,9+,10?,11?
InChIKeyYKVYOMBTOSDEKX-IXBNRNDTSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S,7R)-3-(aminomethyl)adamantan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(5S,7R)-3-(2-fluoroethyl)adamantan-1-amine;hydrochloride
CID 170907857
2-[(5R,7R)-3-amino-1-adamantyl]acetic acid
CID 6939156
(3-fluoro-1-adamantyl)methanamine;hydrochloride
CID 176689228
(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
CID 56845538
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
CID 818513
(5S,7R)-3-chloroadamantan-1-amine
CID 24721241
(5S,7R)-3-bromoadamantan-1-amine
CID 97466147
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
CID 53444440
[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanamine
CID 1377968
[3-(4-bromophenyl)-1-adamantyl]methanamine chloride
CID 53352627
3-aminoadamantane-1-carboxamide
CID 67083536
1-(3-amino-1-adamantyl)ethanethiol
CID 175972280

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-(aminomethyl)adamantan-1-amine?
The IUPAC name of (5S,7R)-3-(aminomethyl)adamantan-1-amine (CID 818515) is (5S,7R)-3-(aminomethyl)adamantan-1-amine.
What is the SMILES notation for (5S,7R)-3-(aminomethyl)adamantan-1-amine?
The canonical SMILES for (5S,7R)-3-(aminomethyl)adamantan-1-amine is NCC12C[C@@H]3C[C@@H](CC(N)(C3)C1)C2.
What is the InChIKey of (5S,7R)-3-(aminomethyl)adamantan-1-amine?
The InChIKey is YKVYOMBTOSDEKX-IXBNRNDTSA-N. The full InChI is InChI=1S/C11H20N2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7,12-13H2/t8-,9+,10?,11?.
What are the key properties of (5S,7R)-3-(aminomethyl)adamantan-1-amine?
(5S,7R)-3-(aminomethyl)adamantan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-(aminomethyl)adamantan-1-amine is sourced from PubChem (CID 818515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).