N-[ethyl(propyl)boranyl]sulfanylmethanamine

C6H16BNS — CID 174041717

IUPACN-[ethyl(propyl)boranyl]sulfanylmethanamine
SMILESCCCB(CC)SNC
InChIInChI=1S/C6H16BNS/c1-4-6-7(5-2)9-8-3/h8H,4-6H2,1-3H3
InChIKeyYVHAMJRCXIKUHR-UHFFFAOYSA-N
MW145.08 g/mol
LogP2.28
Rot. Bonds5

About N-[ethyl(propyl)boranyl]sulfanylmethanamine

N-[ethyl(propyl)boranyl]sulfanylmethanamine (PubChem CID 174041717) has the molecular formula C6H16BNS and a molecular weight of 145.08 g/mol. Its IUPAC name is N-[ethyl(propyl)boranyl]sulfanylmethanamine.

Molecular Properties

Compound NameN-[ethyl(propyl)boranyl]sulfanylmethanamine
PubChem CID174041717
Molecular FormulaC6H16BNS
Molecular Weight145.08 g/mol
Exact Mass145.11
IUPAC NameN-[ethyl(propyl)boranyl]sulfanylmethanamine
SMILESCCCB(CC)SNC
InChIInChI=1S/C6H16BNS/c1-4-6-7(5-2)9-8-3/h8H,4-6H2,1-3H3
InChIKeyYVHAMJRCXIKUHR-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.08
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[ethyl(propyl)boranyl]sulfanylmethanamine 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

N-pentan-3-ylsulfanylmethanamine
CID 134360938
diethyl(propyl)borane
CID 535107
3-diethylboranyl-N-methylpropan-1-amine
CID 86012287
methyl(dipropyl)borane
CID 534926
N-(5-methylhex-5-en-3-ylsulfanyl)methanamine
CID 143610831
ethane;N-methylbutan-1-amine;propane
CID 142092371
methyl-[methyl(propyl)boranyl]phosphane
CID 89355838
dimethyl(propyl)borane;methane
CID 161304479
diethyl(methylsulfanyl)azanium
CID 173395639
butane;N-methylmethanamine;hydrochloride
CID 174856882
N-methylethanamine;hydrofluoride
CID 173445578
hafnium;bis(N-methylethanamine)
CID 158490256

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(propyl)boranyl]sulfanylmethanamine?
The IUPAC name of N-[ethyl(propyl)boranyl]sulfanylmethanamine (CID 174041717) is N-[ethyl(propyl)boranyl]sulfanylmethanamine.
What is the SMILES notation for N-[ethyl(propyl)boranyl]sulfanylmethanamine?
The canonical SMILES for N-[ethyl(propyl)boranyl]sulfanylmethanamine is CCCB(CC)SNC.
What is the InChIKey of N-[ethyl(propyl)boranyl]sulfanylmethanamine?
The InChIKey is YVHAMJRCXIKUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16BNS/c1-4-6-7(5-2)9-8-3/h8H,4-6H2,1-3H3.
What are the key properties of N-[ethyl(propyl)boranyl]sulfanylmethanamine?
N-[ethyl(propyl)boranyl]sulfanylmethanamine has a molecular weight of 145.08 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(propyl)boranyl]sulfanylmethanamine is sourced from PubChem (CID 174041717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).