1-tritiopropan-1-imine

C3H7N — CID 59378071

IUPAC1-tritiopropan-1-imine
SMILES[H]/N=C(\[3H])CC
InChIInChI=1S/C3H7N/c1-2-3-4/h3-4H,2H2,1H3/b4-3+/i3T
InChIKeyWJKYOQDIQYJXSD-QVWYGZMASA-N
MW59.10 g/mol
LogP1.05
Rot. Bonds1

About 1-tritiopropan-1-imine

1-tritiopropan-1-imine (PubChem CID 59378071) has the molecular formula C3H7N and a molecular weight of 59.10 g/mol. Its IUPAC name is 1-tritiopropan-1-imine.

Molecular Properties

Compound Name1-tritiopropan-1-imine
PubChem CID59378071
Molecular FormulaC3H7N
Molecular Weight59.10 g/mol
Exact Mass59.07
IUPAC Name1-tritiopropan-1-imine
SMILES[H]/N=C(\[3H])CC
InChIInChI=1S/C3H7N/c1-2-3-4/h3-4H,2H2,1H3/b4-3+/i3T
InChIKeyWJKYOQDIQYJXSD-QVWYGZMASA-N
XLogP1.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.10
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

propane;propan-1-imine
CID 175287004
propane;propane-1,3-diimine
CID 142057441
propylidenesilane
CID 101343213
methanimidoyl methanimidothioate;propane
CID 142059269
2,4-dimethylhexan-1-imine
CID 88882138
methanimidamide;N-methylethanamine
CID 157328600
ethylcyclopentane;methanimidamide
CID 144721337
(Z)-N'-propylideneprop-2-ene-1,3-diimine
CID 123520631
deca-4,7-dien-1-imine
CID 123827907
[(2R,3S)-3-hydroxy-4-imino-2-methylbutyl]oxidanium
CID 163682954
N,N-dipropylmethanimidamide
CID 87832225
ethylsulfinylmethanimine
CID 171035287

Frequently Asked Questions

What is the IUPAC name of 1-tritiopropan-1-imine?
The IUPAC name of 1-tritiopropan-1-imine (CID 59378071) is 1-tritiopropan-1-imine.
What is the SMILES notation for 1-tritiopropan-1-imine?
The canonical SMILES for 1-tritiopropan-1-imine is [H]/N=C(\[3H])CC.
What is the InChIKey of 1-tritiopropan-1-imine?
The InChIKey is WJKYOQDIQYJXSD-QVWYGZMASA-N. The full InChI is InChI=1S/C3H7N/c1-2-3-4/h3-4H,2H2,1H3/b4-3+/i3T.
What are the key properties of 1-tritiopropan-1-imine?
1-tritiopropan-1-imine has a molecular weight of 59.10 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritiopropan-1-imine is sourced from PubChem (CID 59378071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).