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

C9H18N2S — CID 166922846

IUPACN-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine
SMILESC/C=C\C(=N\NC)C(C)SCC
InChIInChI=1S/C9H18N2S/c1-5-7-9(11-10-4)8(3)12-6-2/h5,7-8,10H,6H2,1-4H3/b7-5-,11-9-
InChIKeyQEQPXOYLEUKUPK-CXHWBCNXSA-N
MW186.32 g/mol
LogP2.28
Rot. Bonds5

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

N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine (PubChem CID 166922846) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine
PubChem CID166922846
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine
SMILESC/C=C\C(=N\NC)C(C)SCC
InChIInChI=1S/C9H18N2S/c1-5-7-9(11-10-4)8(3)12-6-2/h5,7-8,10H,6H2,1-4H3/b7-5-,11-9-
InChIKeyQEQPXOYLEUKUPK-CXHWBCNXSA-N
XLogP2.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine (CID 166922846) is N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine is C/C=C\C(=N\NC)C(C)SCC.
What is the InChIKey of N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine?
The InChIKey is QEQPXOYLEUKUPK-CXHWBCNXSA-N. The full InChI is InChI=1S/C9H18N2S/c1-5-7-9(11-10-4)8(3)12-6-2/h5,7-8,10H,6H2,1-4H3/b7-5-,11-9-.
What are the key properties of N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine?
N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine has a molecular weight of 186.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-2-ethylsulfanylhex-4-en-3-ylidene]amino]methanamine is sourced from PubChem (CID 166922846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).