N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine

C11H19N3S — CID 106576814

IUPACN-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESCCCNc1nccn1CC1CCCS1
InChIInChI=1S/C11H19N3S/c1-2-5-12-11-13-6-7-14(11)9-10-4-3-8-15-10/h6-7,10H,2-5,8-9H2,1H3,(H,12,13)
InChIKeyXCMIVQFXYQUYRW-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.60
Rot. Bonds5

About N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine

N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106576814) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
PubChem CID106576814
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESCCCNc1nccn1CC1CCCS1
InChIInChI=1S/C11H19N3S/c1-2-5-12-11-13-6-7-14(11)9-10-4-3-8-15-10/h6-7,10H,2-5,8-9H2,1H3,(H,12,13)
InChIKeyXCMIVQFXYQUYRW-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577111
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
1-[(4-methylcyclohexyl)methyl]-N-propylimidazol-2-amine
CID 106571771
N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577112
1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576782
2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585420
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560081
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine (CID 106576814) is N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine is CCCNc1nccn1CC1CCCS1.
What is the InChIKey of N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is XCMIVQFXYQUYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-5-12-11-13-6-7-14(11)9-10-4-3-8-15-10/h6-7,10H,2-5,8-9H2,1H3,(H,12,13).
What are the key properties of N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine?
N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106576814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).