N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine

C9H18N2S — CID 166923036

IUPACN-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine
SMILESC/C=C(C)\C(=N\NC)C(C)SC
InChIInChI=1S/C9H18N2S/c1-6-7(2)9(11-10-4)8(3)12-5/h6,8,10H,1-5H3/b7-6-,11-9-
InChIKeyLDKVFZNTOWJYLN-XEZITKEBSA-N
MW186.32 g/mol
LogP2.28
Rot. Bonds4

About N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine

N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine (PubChem CID 166923036) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine
PubChem CID166923036
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine
SMILESC/C=C(C)\C(=N\NC)C(C)SC
InChIInChI=1S/C9H18N2S/c1-6-7(2)9(11-10-4)8(3)12-5/h6,8,10H,1-5H3/b7-6-,11-9-
InChIKeyLDKVFZNTOWJYLN-XEZITKEBSA-N
XLogP2.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(E)-4-fluoro-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine
CID 166922976
N-[(Z)-[(E)-4-fluoro-2-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine
CID 169995407
(E,E)-N-(methylideneamino)-6-(methylsulfanylmethyl)oct-5-en-4-imine
CID 123177897
N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine
CID 166922846
N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]thiolan-3-amine
CID 133663659

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine (CID 166923036) is N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine is C/C=C(C)\C(=N\NC)C(C)SC.
What is the InChIKey of N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The InChIKey is LDKVFZNTOWJYLN-XEZITKEBSA-N. The full InChI is InChI=1S/C9H18N2S/c1-6-7(2)9(11-10-4)8(3)12-5/h6,8,10H,1-5H3/b7-6-,11-9-.
What are the key properties of N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine?
N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine has a molecular weight of 186.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-4-methyl-2-methylsulfanylhex-4-en-3-ylidene]amino]methanamine is sourced from PubChem (CID 166923036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).