(1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine

C18H23N7 — CID 137052768

IUPAC(1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine
SMILESCC1=C([C@H](C)NCCc2c[nH]c3ccccc23)[C@@H](C)n2nnnc2N1
InChIInChI=1S/C18H23N7/c1-11(17-12(2)21-18-22-23-24-25(18)13(17)3)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10-11,13,19-20H,8-9H2,1-3H3,(H,21,22,24)/t11-,13+/m0/s1
InChIKeyARPNWTPHFSVKAP-WCQYABFASA-N
MW337.43 g/mol
LogP2.64
Rot. Bonds5

About (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine

(1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine (PubChem CID 137052768) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine
PubChem CID137052768
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name(1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine
SMILESCC1=C([C@H](C)NCCc2c[nH]c3ccccc23)[C@@H](C)n2nnnc2N1
InChIInChI=1S/C18H23N7/c1-11(17-12(2)21-18-22-23-24-25(18)13(17)3)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10-11,13,19-20H,8-9H2,1-3H3,(H,21,22,24)/t11-,13+/m0/s1
InChIKeyARPNWTPHFSVKAP-WCQYABFASA-N
XLogP2.64
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
CID 97181242
N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881289
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine
CID 102124658
2-[2-(1H-indol-3-yl)ethylamino]-4-methylpentanenitrile
CID 112511537
(Z)-but-2-enedioic acid;N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
CID 5380391
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302824
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine (CID 137052768) is (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine is CC1=C([C@H](C)NCCc2c[nH]c3ccccc23)[C@@H](C)n2nnnc2N1.
What is the InChIKey of (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine?
The InChIKey is ARPNWTPHFSVKAP-WCQYABFASA-N. The full InChI is InChI=1S/C18H23N7/c1-11(17-12(2)21-18-22-23-24-25(18)13(17)3)19-9-8-14-10-20-16-7-5-4-6-15(14)16/h4-7,10-11,13,19-20H,8-9H2,1-3H3,(H,21,22,24)/t11-,13+/m0/s1.
What are the key properties of (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine?
(1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine has a molecular weight of 337.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 137052768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).