[(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium

C16H29N — CID 163157344

IUPAC[(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium
SMILES[CH2-][NH2+][C@@H]1C[C@]2(C)[C@H]3C[C@H](C(C)C)[C@@H]2C[C@]1(C)C3
InChIInChI=1S/C16H29N/c1-10(2)12-6-11-7-15(3)8-13(12)16(11,4)9-14(15)17-5/h10-14H,5-9,17H2,1-4H3/t11-,12+,13-,14+,15-,16+/m0/s1
InChIKeyPQGGZLFBLWGVFE-XBORSJSESA-N
MW235.41 g/mol
LogP2.83
Rot. Bonds2

About [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium

[(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium (PubChem CID 163157344) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium.

Molecular Properties

Compound Name[(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium
PubChem CID163157344
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name[(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium
SMILES[CH2-][NH2+][C@@H]1C[C@]2(C)[C@H]3C[C@H](C(C)C)[C@@H]2C[C@]1(C)C3
InChIInChI=1S/C16H29N/c1-10(2)12-6-11-7-15(3)8-13(12)16(11,4)9-14(15)17-5/h10-14H,5-9,17H2,1-4H3/t11-,12+,13-,14+,15-,16+/m0/s1
InChIKeyPQGGZLFBLWGVFE-XBORSJSESA-N
XLogP2.83
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-1-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123525117
1-methyl-7-propan-2-yltetracyclo[6.2.1.03,9.05,9]undecane
CID 142060239
2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 59658228
(1R,2S,5R)-2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 140665995
4,4-difluoro-1-methylbicyclo[4.1.0]heptane
CID 139551138
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
1,1-dimethyl-2-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123309747
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
[(1R,2S,3S,5S,6R,9S,11S,13R,14S)-14-hydroxy-6,9,13-trimethyl-3-propan-2-yl-5-tetracyclo[7.5.0.02,6.011,13]tetradecanyl] acetate
CID 163023701
(1S,2R,5S)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;sulfane
CID 157194003
(1R,2S,3R,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-ol
CID 162917025
ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 144517387

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium?
The IUPAC name of [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium (CID 163157344) is [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium.
What is the SMILES notation for [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium?
The canonical SMILES for [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium is [CH2-][NH2+][C@@H]1C[C@]2(C)[C@H]3C[C@H](C(C)C)[C@@H]2C[C@]1(C)C3.
What is the InChIKey of [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium?
The InChIKey is PQGGZLFBLWGVFE-XBORSJSESA-N. The full InChI is InChI=1S/C16H29N/c1-10(2)12-6-11-7-15(3)8-13(12)16(11,4)9-14(15)17-5/h10-14H,5-9,17H2,1-4H3/t11-,12+,13-,14+,15-,16+/m0/s1.
What are the key properties of [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium?
[(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium has a molecular weight of 235.41 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4R,6S,7R,9R)-1,7-dimethyl-4-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]-methanidylazanium is sourced from PubChem (CID 163157344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).