2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine

C14H26N2 — CID 98064934

IUPAC2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine
SMILESC[C@]12C[C@H]3C[C@@](CN)(C1)C[C@@](CCN)(C3)C2
InChIInChI=1S/C14H26N2/c1-12-4-11-5-13(7-12,2-3-15)9-14(6-11,8-12)10-16/h11H,2-10,15-16H2,1H3/t11-,12-,13+,14-/m1/s1
InChIKeyLGRQKGNPTUVCEK-YIYPIFLZSA-N
MW222.38 g/mol
LogP2.27
Rot. Bonds3

About 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine

2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine (PubChem CID 98064934) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine.

Molecular Properties

Compound Name2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine
PubChem CID98064934
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine
SMILESC[C@]12C[C@H]3C[C@@](CN)(C1)C[C@@](CCN)(C3)C2
InChIInChI=1S/C14H26N2/c1-12-4-11-5-13(7-12,2-3-15)9-14(6-11,8-12)10-16/h11H,2-10,15-16H2,1H3/t11-,12-,13+,14-/m1/s1
InChIKeyLGRQKGNPTUVCEK-YIYPIFLZSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
CID 818513
1-[3-(2-aminoethyl)-5-methyl-1-adamantyl]ethyl nitrate
CID 155354576
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
CID 53444440
3-butyl-5-methyladamantan-1-amine
CID 10013787
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine
CID 2794255
N-[2-(3,5-dimethyl-1-adamantyl)ethyl]-2-methylpropan-1-amine
CID 79986614
(3-amino-5-methyl-1-adamantyl)methanol
CID 2850520
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine
CID 79987073
[3-(2-aminoethyl)-5-ethyl-1-adamantyl]methyl nitrate
CID 155354624
2-(3,5-dimethyl-1-adamantyl)acetic acid
CID 4067589

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine?
The IUPAC name of 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine (CID 98064934) is 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine.
What is the SMILES notation for 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine?
The canonical SMILES for 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine is C[C@]12C[C@H]3C[C@@](CN)(C1)C[C@@](CCN)(C3)C2.
What is the InChIKey of 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine?
The InChIKey is LGRQKGNPTUVCEK-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H26N2/c1-12-4-11-5-13(7-12,2-3-15)9-14(6-11,8-12)10-16/h11H,2-10,15-16H2,1H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine?
2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine has a molecular weight of 222.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R,5R,7R)-3-(aminomethyl)-5-methyl-1-adamantyl]ethanamine is sourced from PubChem (CID 98064934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).