1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine

C11H19N3S2 — CID 106580102

IUPAC1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1CC1CSCCS1
InChIInChI=1S/C11H19N3S2/c1-9(2)13-11-12-3-4-14(11)7-10-8-15-5-6-16-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13)
InChIKeyIDPBZOQJOUVSCK-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.55
Rot. Bonds4

About 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine

1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106580102) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
PubChem CID106580102
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1CC1CSCCS1
InChIInChI=1S/C11H19N3S2/c1-9(2)13-11-12-3-4-14(11)7-10-8-15-5-6-16-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13)
InChIKeyIDPBZOQJOUVSCK-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine
CID 106580126
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577112
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048
1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106563035
N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576814
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
N-butyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577111
1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115685248
1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580897
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine (CID 106580102) is 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1CC1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is IDPBZOQJOUVSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-9(2)13-11-12-3-4-14(11)7-10-8-15-5-6-16-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13).
What are the key properties of 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine?
1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 257.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106580102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).