CID 135035249

C9H16N2 — CID 135035249

IUPAC—
SMILESCN1[C]N(C)[C@H]2CCCC[C@H]21
InChIInChI=1S/C9H16N2/c1-10-7-11(2)9-6-4-3-5-8(9)10/h8-9H,3-6H2,1-2H3/t8-,9+
InChIKeyJWBGXDJWOFPCIH-DTORHVGOSA-N
MW152.24 g/mol
LogP1.17
Rot. Bonds

About CID 135035249

CID 135035249 (PubChem CID 135035249) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol.

Molecular Properties

Compound NameCID 135035249
PubChem CID135035249
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name—
SMILESCN1[C]N(C)[C@H]2CCCC[C@H]21
InChIInChI=1S/C9H16N2/c1-10-7-11(2)9-6-4-3-5-8(9)10/h8-9H,3-6H2,1-2H3/t8-,9+
InChIKeyJWBGXDJWOFPCIH-DTORHVGOSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hexyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 69826644
2-methyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 156888855
1,3-Di(hept-2-ynyl)octahydro-1 h-benzimidazole
CID 133188348
2-propyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 85550803
(3aR,7aS)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 10749633
1,3-Dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 15257025
1,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
CID 20749021
3-[3-(2-cyanoethyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl]propanenitrile
CID 22959847
3-Methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole
CID 44558698
1,3-Dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-imine
CID 54532530
1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
CID 58030172
(3aS,7aS)-2,2-dimethyl-1,3-di(propan-2-ylidene)-3a,4,5,6,7,7a-hexahydrobenzimidazole-1,3-diium
CID 58223811

Frequently Asked Questions

What is the IUPAC name of CID 135035249?
The IUPAC name of CID 135035249 (CID 135035249) is not available.
What is the SMILES notation for CID 135035249?
The canonical SMILES for CID 135035249 is CN1[C]N(C)[C@H]2CCCC[C@H]21.
What is the InChIKey of CID 135035249?
The InChIKey is JWBGXDJWOFPCIH-DTORHVGOSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-7-11(2)9-6-4-3-5-8(9)10/h8-9H,3-6H2,1-2H3/t8-,9+.
What are the key properties of CID 135035249?
CID 135035249 has a molecular weight of 152.24 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135035249 is sourced from PubChem (CID 135035249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).