(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

C15H18N2 — CID 124581684

IUPAC(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
SMILESCc1ccc2[nH]c3c(c2c1)CN1CCC[C@H]3C1
InChIInChI=1S/C15H18N2/c1-10-4-5-14-12(7-10)13-9-17-6-2-3-11(8-17)15(13)16-14/h4-5,7,11,16H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyLFDQXPAHZHIZKV-NSHDSACASA-N
MW226.32 g/mol
LogP3.17
Rot. Bonds

About (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene (PubChem CID 124581684) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene.

Molecular Properties

Compound Name(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
PubChem CID124581684
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
SMILESCc1ccc2[nH]c3c(c2c1)CN1CCC[C@H]3C1
InChIInChI=1S/C15H18N2/c1-10-4-5-14-12(7-10)13-9-17-6-2-3-11(8-17)15(13)16-14/h4-5,7,11,16H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyLFDQXPAHZHIZKV-NSHDSACASA-N
XLogP3.17
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The IUPAC name of (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene (CID 124581684) is (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene.
What is the SMILES notation for (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The canonical SMILES for (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene is Cc1ccc2[nH]c3c(c2c1)CN1CCC[C@H]3C1.
What is the InChIKey of (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The InChIKey is LFDQXPAHZHIZKV-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2/c1-10-4-5-14-12(7-10)13-9-17-6-2-3-11(8-17)15(13)16-14/h4-5,7,11,16H,2-3,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene has a molecular weight of 226.32 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene is sourced from PubChem (CID 124581684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).