CID 171048545

C5H12N3Y- — CID 171048545

IUPAC—
SMILESCC1N[CH-]NC(C)N1.[Y]
InChIInChI=1S/C5H12N3.Y/c1-4-6-3-7-5(2)8-4;/h3-8H,1-2H3;/q-1;
InChIKeyJCLLHMSOZRAHSD-UHFFFAOYSA-N
MW203.08 g/mol
LogP-0.42
Rot. Bonds

About CID 171048545

CID 171048545 (PubChem CID 171048545) has the molecular formula C5H12N3Y- and a molecular weight of 203.08 g/mol.

Molecular Properties

Compound NameCID 171048545
PubChem CID171048545
Molecular FormulaC5H12N3Y-
Molecular Weight203.08 g/mol
Exact Mass203.01
IUPAC Name—
SMILESCC1N[CH-]NC(C)N1.[Y]
InChIInChI=1S/C5H12N3.Y/c1-4-6-3-7-5(2)8-4;/h3-8H,1-2H3;/q-1;
InChIKeyJCLLHMSOZRAHSD-UHFFFAOYSA-N
XLogP-0.42
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4,5-diiodo-2-methylimidazolidine
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2-methylimidazolidine-4,5-dicarbonitrile
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(2S,4S)-2,4-dimethylazetidine;hydrochloride
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5,8-dimethyl-1,2,3,4,6,7-hexazocane
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(2S)-2,5-dimethylpyrrolidine;ethane
CID 177006469
tetrakis(2-methylimidazolidine);nickel
CID 171038649
3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane
CID 89258092
(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
CID 163883112
4-N,4-N,40-N,40-N,57-N,57-N,7,10,16,19,25,28,34,37-tetradecamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,56,58,60,61,62,63,64,65,66,67,68,69-nonatriacontazapentadecacyclo[41.11.5.12,6.18,12.114,18.120,24.126,30.132,36.138,42.144,48.150,54.155,59.013,52.022,49.031,46]nonahexacontane-4,40,57-triamine
CID 123209759

Frequently Asked Questions

What is the IUPAC name of CID 171048545?
The IUPAC name of CID 171048545 (CID 171048545) is not available.
What is the SMILES notation for CID 171048545?
The canonical SMILES for CID 171048545 is CC1N[CH-]NC(C)N1.[Y].
What is the InChIKey of CID 171048545?
The InChIKey is JCLLHMSOZRAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N3.Y/c1-4-6-3-7-5(2)8-4;/h3-8H,1-2H3;/q-1;.
What are the key properties of CID 171048545?
CID 171048545 has a molecular weight of 203.08 g/mol, XLogP of -0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171048545 is sourced from PubChem (CID 171048545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).