(Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol

C16H25N3S — CID 89020362

IUPAC(Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol
SMILESN/C(=C\S)c1ccc(CNCC2CCC(N)CC2)cc1
InChIInChI=1S/C16H25N3S/c17-15-7-3-13(4-8-15)10-19-9-12-1-5-14(6-2-12)16(18)11-20/h1-2,5-6,11,13,15,19-20H,3-4,7-10,17-18H2/b16-11-
InChIKeyPHNGTTANJHAXCS-WJDWOHSUSA-N
MW291.46 g/mol
LogP2.48
Rot. Bonds5

About (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol

(Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol (PubChem CID 89020362) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol
PubChem CID89020362
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name(Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol
SMILESN/C(=C\S)c1ccc(CNCC2CCC(N)CC2)cc1
InChIInChI=1S/C16H25N3S/c17-15-7-3-13(4-8-15)10-19-9-12-1-5-14(6-2-12)16(18)11-20/h1-2,5-6,11,13,15,19-20H,3-4,7-10,17-18H2/b16-11-
InChIKeyPHNGTTANJHAXCS-WJDWOHSUSA-N
XLogP2.48
TPSA64.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
methyl 4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 63243065
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
CID 60984984
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123141
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5005578
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol?
The IUPAC name of (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol (CID 89020362) is (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol?
The canonical SMILES for (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol is N/C(=C\S)c1ccc(CNCC2CCC(N)CC2)cc1.
What is the InChIKey of (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol?
The InChIKey is PHNGTTANJHAXCS-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H25N3S/c17-15-7-3-13(4-8-15)10-19-9-12-1-5-14(6-2-12)16(18)11-20/h1-2,5-6,11,13,15,19-20H,3-4,7-10,17-18H2/b16-11-.
What are the key properties of (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol?
(Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol has a molecular weight of 291.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol is sourced from PubChem (CID 89020362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).