N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine

C12H19N3S — CID 107295493

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
SMILESc1ncn(C2CC2)c1CNCC1CCSC1
InChIInChI=1S/C12H19N3S/c1-2-11(1)15-9-14-7-12(15)6-13-5-10-3-4-16-8-10/h7,9-11,13H,1-6,8H2
InChIKeyCBHYSIBQCHDZBN-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.06
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107295493) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107295493
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
SMILESc1ncn(C2CC2)c1CNCC1CCSC1
InChIInChI=1S/C12H19N3S/c1-2-11(1)15-9-14-7-12(15)6-13-5-10-3-4-16-8-10/h7,9-11,13H,1-6,8H2
InChIKeyCBHYSIBQCHDZBN-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412322
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66162475
4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
CID 114331505
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea
CID 83109168
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
CID 79394815
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166716
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 106938573
2-[3-(thian-4-yl)imidazol-4-yl]ethanamine
CID 84734602

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine (CID 107295493) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine is c1ncn(C2CC2)c1CNCC1CCSC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is CBHYSIBQCHDZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-11(1)15-9-14-7-12(15)6-13-5-10-3-4-16-8-10/h7,9-11,13H,1-6,8H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107295493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).