CID 177329395

C5H14BNO — CID 177329395

IUPAC—
SMILESCCNCCOC.[BH]
InChIInChI=1S/C5H13NO.BH/c1-3-6-4-5-7-2;/h6H,3-5H2,1-2H3;1H
InChIKeyGDSTUUAEDRAUEZ-UHFFFAOYSA-N
MW114.98 g/mol
LogP-0.41
Rot. Bonds4

About CID 177329395

CID 177329395 (PubChem CID 177329395) has the molecular formula C5H14BNO and a molecular weight of 114.98 g/mol.

Molecular Properties

Compound NameCID 177329395
PubChem CID177329395
Molecular FormulaC5H14BNO
Molecular Weight114.98 g/mol
Exact Mass115.12
IUPAC Name—
SMILESCCNCCOC.[BH]
InChIInChI=1S/C5H13NO.BH/c1-3-6-4-5-7-2;/h6H,3-5H2,1-2H3;1H
InChIKeyGDSTUUAEDRAUEZ-UHFFFAOYSA-N
XLogP-0.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.98
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-2-methoxyethanamine
CID 53486475
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
CID 59347744
CID 59347744
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
2-(ethylamino)ethyl hypofluorite
CID 87274777
N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N-(2-chloroethyl)-2-methoxyethanamine
CID 64980906
CID 89324812
CID 89324812

Frequently Asked Questions

What is the IUPAC name of CID 177329395?
The IUPAC name of CID 177329395 (CID 177329395) is not available.
What is the SMILES notation for CID 177329395?
The canonical SMILES for CID 177329395 is CCNCCOC.[BH].
What is the InChIKey of CID 177329395?
The InChIKey is GDSTUUAEDRAUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.BH/c1-3-6-4-5-7-2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of CID 177329395?
CID 177329395 has a molecular weight of 114.98 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177329395 is sourced from PubChem (CID 177329395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).