N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine

C10H15N3 — CID 130526185

IUPACN-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine
SMILESCCCNc1n[nH]c2c1CC1CC21
InChIInChI=1S/C10H15N3/c1-2-3-11-10-8-5-6-4-7(6)9(8)12-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13)
InChIKeyQDOIBRZSAYHMMU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.89
Rot. Bonds3

About N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine

N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine (PubChem CID 130526185) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine.

Molecular Properties

Compound NameN-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine
PubChem CID130526185
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine
SMILESCCCNc1n[nH]c2c1CC1CC21
InChIInChI=1S/C10H15N3/c1-2-3-11-10-8-5-6-4-7(6)9(8)12-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13)
InChIKeyQDOIBRZSAYHMMU-UHFFFAOYSA-N
XLogP1.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-5,7-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64760109
N-tert-butyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123275273
N-ethyl-7-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63047957
4-[[(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166289988
4,5-diphenyl-N-propyl-1H-pyrazol-3-amine
CID 12931069
2-(2-methylcyclopropyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65421960
N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-sulfonamide
CID 55043917
N-[1-(4-fluorophenyl)cyclopropyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123741168
5,7-dimethyl-2-(propylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64752500
3-methyl-N-propyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59619092
5-bromo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66301653
N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63049736

Frequently Asked Questions

What is the IUPAC name of N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine?
The IUPAC name of N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine (CID 130526185) is N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine.
What is the SMILES notation for N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine?
The canonical SMILES for N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine is CCCNc1n[nH]c2c1CC1CC21.
What is the InChIKey of N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine?
The InChIKey is QDOIBRZSAYHMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-3-11-10-8-5-6-4-7(6)9(8)12-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine?
N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine has a molecular weight of 177.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-amine is sourced from PubChem (CID 130526185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).