(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine

C20H32N2 — CID 56845538

IUPAC(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
SMILESNC12C[C@H]3C[C@H](C1)CC(C14C[C@@H]5C[C@H](CC(N)(C5)C1)C4)(C3)C2
InChIInChI=1S/C20H32N2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16H,1-12,21-22H2/t13-,14-,15-,16-,17?,18?,19?,20?/m0/s1
InChIKeySOKRCBPOBAYQBS-OSMCNATGSA-N
MW300.49 g/mol
LogP3.58
Rot. Bonds1

About (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine

(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine (PubChem CID 56845538) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine.

Molecular Properties

Compound Name(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
PubChem CID56845538
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
SMILESNC12C[C@H]3C[C@H](C1)CC(C14C[C@@H]5C[C@H](CC(N)(C5)C1)C4)(C3)C2
InChIInChI=1S/C20H32N2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16H,1-12,21-22H2/t13-,14-,15-,16-,17?,18?,19?,20?/m0/s1
InChIKeySOKRCBPOBAYQBS-OSMCNATGSA-N
XLogP3.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine?
The IUPAC name of (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine (CID 56845538) is (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine.
What is the SMILES notation for (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine?
The canonical SMILES for (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine is NC12C[C@H]3C[C@H](C1)CC(C14C[C@@H]5C[C@H](CC(N)(C5)C1)C4)(C3)C2.
What is the InChIKey of (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine?
The InChIKey is SOKRCBPOBAYQBS-OSMCNATGSA-N. The full InChI is InChI=1S/C20H32N2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16H,1-12,21-22H2/t13-,14-,15-,16-,17?,18?,19?,20?/m0/s1.
What are the key properties of (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine?
(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine is sourced from PubChem (CID 56845538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).