3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine

C11H20N2S — CID 163976502

IUPAC3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine
SMILES[H]/N=C(\C(=C)N)C(C)CSC[C@@H](C)C=C
InChIInChI=1S/C11H20N2S/c1-5-8(2)6-14-7-9(3)11(13)10(4)12/h5,8-9,13H,1,4,6-7,12H2,2-3H3/b13-11-/t8-,9?/m0/s1
InChIKeySUPJJZKJZFJCPW-ZEJZBLIGSA-N
MW212.36 g/mol
LogP2.67
Rot. Bonds7

About 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine

3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine (PubChem CID 163976502) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine.

Molecular Properties

Compound Name3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine
PubChem CID163976502
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine
SMILES[H]/N=C(\C(=C)N)C(C)CSC[C@@H](C)C=C
InChIInChI=1S/C11H20N2S/c1-5-8(2)6-14-7-9(3)11(13)10(4)12/h5,8-9,13H,1,4,6-7,12H2,2-3H3/b13-11-/t8-,9?/m0/s1
InChIKeySUPJJZKJZFJCPW-ZEJZBLIGSA-N
XLogP2.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-propylsulfanylbut-1-ene
CID 90951175
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645
2,4-dimethylpent-1-en-3-imine
CID 91148130
(2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide
CID 126593784
3,3,3-trifluoro-2-(2-methylpropylsulfanylmethyl)propanimidamide
CID 103371411
(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016
3,6-dimethyl-5-methylidenehept-1-ene
CID 91477493
2,4-dimethylpent-1-en-3-imine;ethane
CID 156721750
4-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzenecarboximidamide
CID 66103833
3-amino-2-iminobutanamide
CID 123991333
(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
6-ethyl-3,7-dimethyl-5-methylideneoct-1-ene
CID 123651388

Frequently Asked Questions

What is the IUPAC name of 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine?
The IUPAC name of 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine (CID 163976502) is 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine.
What is the SMILES notation for 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine?
The canonical SMILES for 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine is [H]/N=C(\C(=C)N)C(C)CSC[C@@H](C)C=C.
What is the InChIKey of 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine?
The InChIKey is SUPJJZKJZFJCPW-ZEJZBLIGSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-8(2)6-14-7-9(3)11(13)10(4)12/h5,8-9,13H,1,4,6-7,12H2,2-3H3/b13-11-/t8-,9?/m0/s1.
What are the key properties of 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine?
3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-methyl-5-[(2S)-2-methylbut-3-enyl]sulfanylpent-1-en-2-amine is sourced from PubChem (CID 163976502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).