(5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine

C18H27N7 — CID 98759911

IUPAC(5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine
SMILESCc1nnn(C23C[C@H]4C[C@@H](CC(N[C@H](C)Cn5ccnc5)(C4)C2)C3)n1
InChIInChI=1S/C18H27N7/c1-13(10-24-4-3-19-12-24)20-17-6-15-5-16(7-17)9-18(8-15,11-17)25-22-14(2)21-23-25/h3-4,12-13,15-16,20H,5-11H2,1-2H3/t13-,15+,16+,17?,18?/m1/s1
InChIKeyUYXFBHIXLRGBCL-CZRWPBTKSA-N
MW341.46 g/mol
LogP1.90
Rot. Bonds5

About (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine

(5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine (PubChem CID 98759911) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine.

Molecular Properties

Compound Name(5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine
PubChem CID98759911
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name(5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine
SMILESCc1nnn(C23C[C@H]4C[C@@H](CC(N[C@H](C)Cn5ccnc5)(C4)C2)C3)n1
InChIInChI=1S/C18H27N7/c1-13(10-24-4-3-19-12-24)20-17-6-15-5-16(7-17)9-18(8-15,11-17)25-22-14(2)21-23-25/h3-4,12-13,15-16,20H,5-11H2,1-2H3/t13-,15+,16+,17?,18?/m1/s1
InChIKeyUYXFBHIXLRGBCL-CZRWPBTKSA-N
XLogP1.90
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-ethyltetrazol-5-yl)-3-[(5R,7S)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea
CID 31053753
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927780
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 46957202
4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]-1H-1,2,4-triazole-5-thione
CID 98337050
4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985899
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659641
1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine?
The IUPAC name of (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine (CID 98759911) is (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine.
What is the SMILES notation for (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine?
The canonical SMILES for (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine is Cc1nnn(C23C[C@H]4C[C@@H](CC(N[C@H](C)Cn5ccnc5)(C4)C2)C3)n1.
What is the InChIKey of (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine?
The InChIKey is UYXFBHIXLRGBCL-CZRWPBTKSA-N. The full InChI is InChI=1S/C18H27N7/c1-13(10-24-4-3-19-12-24)20-17-6-15-5-16(7-17)9-18(8-15,11-17)25-22-14(2)21-23-25/h3-4,12-13,15-16,20H,5-11H2,1-2H3/t13-,15+,16+,17?,18?/m1/s1.
What are the key properties of (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine?
(5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine has a molecular weight of 341.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine is sourced from PubChem (CID 98759911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).