trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate

C15H26NO+ — CID 169431812

IUPACtrimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate
SMILESC[N+](C)(C)CC1(c2ccccc2)CCCC1.O
InChIInChI=1S/C15H24N.H2O/c1-16(2,3)13-15(11-7-8-12-15)14-9-5-4-6-10-14;/h4-6,9-10H,7-8,11-13H2,1-3H3;1H2/q+1;
InChIKeyRWUUQPWOQURAGI-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.38
Rot. Bonds3

About trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate

trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate (PubChem CID 169431812) has the molecular formula C15H26NO+ and a molecular weight of 236.38 g/mol. Its IUPAC name is trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate.

Molecular Properties

Compound Nametrimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate
PubChem CID169431812
Molecular FormulaC15H26NO+
Molecular Weight236.38 g/mol
Exact Mass236.20
IUPAC Nametrimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate
SMILESC[N+](C)(C)CC1(c2ccccc2)CCCC1.O
InChIInChI=1S/C15H24N.H2O/c1-16(2,3)13-15(11-7-8-12-15)14-9-5-4-6-10-14;/h4-6,9-10H,7-8,11-13H2,1-3H3;1H2/q+1;
InChIKeyRWUUQPWOQURAGI-UHFFFAOYSA-N
XLogP2.38
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[1-(iodomethyl)cyclopentyl]benzene
CID 19966123
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
2-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 155970926
(1-butylcyclobutyl)benzene
CID 57200184
N-[(1-phenylcyclopentyl)methyl]methanesulfonamide
CID 47016388
2-oxo-3-(1-phenylcyclohexyl)propanoic acid
CID 18551192
(1-phenylcyclopentyl)methyl 4-methylbenzenesulfonate
CID 14936071
[1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen
CID 143248873
2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 110914388
3-ethyl-3-phenylcyclohexan-1-one
CID 135001178

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate?
The IUPAC name of trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate (CID 169431812) is trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate.
What is the SMILES notation for trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate?
The canonical SMILES for trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate is C[N+](C)(C)CC1(c2ccccc2)CCCC1.O.
What is the InChIKey of trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate?
The InChIKey is RWUUQPWOQURAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N.H2O/c1-16(2,3)13-15(11-7-8-12-15)14-9-5-4-6-10-14;/h4-6,9-10H,7-8,11-13H2,1-3H3;1H2/q+1;.
What are the key properties of trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate?
trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate has a molecular weight of 236.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1-phenylcyclopentyl)methyl]azanium;hydrate is sourced from PubChem (CID 169431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).