CID 172894425

C7H14N2O2 — CID 172894425

IUPAC—
SMILESC#CCOCCOCCN.[NH]
InChIInChI=1S/C7H13NO2.HN/c1-2-4-9-6-7-10-5-3-8;/h1H,3-8H2;1H
InChIKeyIGVWYKCIFMZXSV-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.65
Rot. Bonds6

About CID 172894425

CID 172894425 (PubChem CID 172894425) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol.

Molecular Properties

Compound NameCID 172894425
PubChem CID172894425
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name—
SMILESC#CCOCCOCCN.[NH]
InChIInChI=1S/C7H13NO2.HN/c1-2-4-9-6-7-10-5-3-8;/h1H,3-8H2;1H
InChIKeyIGVWYKCIFMZXSV-UHFFFAOYSA-N
XLogP-0.65
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484
4-prop-2-ynoxybutan-1-amine
CID 126972070
3-prop-2-ynoxypropan-1-amine;hydrochloride
CID 154853238
3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]prop-1-yne
CID 91809458
2-but-3-ynoxyethanamine
CID 62343032
CID 176727323
CID 176727323
2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
CID 155396862
O-(2-prop-2-ynoxyethyl)hydroxylamine;hydrochloride
CID 163342975
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060

Frequently Asked Questions

What is the IUPAC name of CID 172894425?
The IUPAC name of CID 172894425 (CID 172894425) is not available.
What is the SMILES notation for CID 172894425?
The canonical SMILES for CID 172894425 is C#CCOCCOCCN.[NH].
What is the InChIKey of CID 172894425?
The InChIKey is IGVWYKCIFMZXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.HN/c1-2-4-9-6-7-10-5-3-8;/h1H,3-8H2;1H.
What are the key properties of CID 172894425?
CID 172894425 has a molecular weight of 158.20 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172894425 is sourced from PubChem (CID 172894425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).