3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine

C19H35N3S — CID 170089543

IUPAC3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine
SMILESC=C(CCCC1SCC2NC(=C)NC21)NCCC(C)CCCC
InChIInChI=1S/C19H35N3S/c1-5-6-8-14(2)11-12-20-15(3)9-7-10-18-19-17(13-23-18)21-16(4)22-19/h14,17-22H,3-13H2,1-2H3
InChIKeyMNPABZUHYOIPSN-UHFFFAOYSA-N
MW337.58 g/mol
LogP3.99
Rot. Bonds11

About 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine

3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine (PubChem CID 170089543) has the molecular formula C19H35N3S and a molecular weight of 337.58 g/mol. Its IUPAC name is 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine
PubChem CID170089543
Molecular FormulaC19H35N3S
Molecular Weight337.58 g/mol
Exact Mass337.26
IUPAC Name3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine
SMILESC=C(CCCC1SCC2NC(=C)NC21)NCCC(C)CCCC
InChIInChI=1S/C19H35N3S/c1-5-6-8-14(2)11-12-20-15(3)9-7-10-18-19-17(13-23-18)21-16(4)22-19/h14,17-22H,3-13H2,1-2H3
InChIKeyMNPABZUHYOIPSN-UHFFFAOYSA-N
XLogP3.99
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.58
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine?
The IUPAC name of 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine (CID 170089543) is 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine.
What is the SMILES notation for 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine?
The canonical SMILES for 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine is C=C(CCCC1SCC2NC(=C)NC21)NCCC(C)CCCC.
What is the InChIKey of 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine?
The InChIKey is MNPABZUHYOIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3S/c1-5-6-8-14(2)11-12-20-15(3)9-7-10-18-19-17(13-23-18)21-16(4)22-19/h14,17-22H,3-13H2,1-2H3.
What are the key properties of 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine?
3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine has a molecular weight of 337.58 g/mol, XLogP of 3.99, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine is sourced from PubChem (CID 170089543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).