N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide

C14H28N4S — CID 107460335

IUPACN-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide
SMILESCC1(C)CCN(/C(=N/C2CCCCC2)NN)CCS1
InChIInChI=1S/C14H28N4S/c1-14(2)8-9-18(10-11-19-14)13(17-15)16-12-6-4-3-5-7-12/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyJDGYZSUOJTUTCV-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.36
Rot. Bonds1

About N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide

N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide (PubChem CID 107460335) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide
PubChem CID107460335
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC NameN-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide
SMILESCC1(C)CCN(/C(=N/C2CCCCC2)NN)CCS1
InChIInChI=1S/C14H28N4S/c1-14(2)8-9-18(10-11-19-14)13(17-15)16-12-6-4-3-5-7-12/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyJDGYZSUOJTUTCV-UHFFFAOYSA-N
XLogP2.36
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide
CID 107455922
N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide
CID 104883434
N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide
CID 104886543
N-amino-N'-cyclopentyl-4-cyclopropylpiperazine-1-carboximidamide
CID 104885662
N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide
CID 81451294
N-amino-N'-cyclohexyl-2-propylpiperidine-1-carboximidamide
CID 104887901
N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 104886953
N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
CID 104884388
N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide
CID 106828795
2-amino-2-cyclopropyl-1-(7,7-dimethyl-1,4-thiazepan-4-yl)propan-1-one
CID 107454692
N-amino-N'-cyclopropyl-2-methylthiolane-2-carboximidamide
CID 81451113
7,7-dimethyl-N-propan-2-yl-1,4-thiazepane-4-carbothioamide
CID 107265793

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide (CID 107460335) is N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide is CC1(C)CCN(/C(=N/C2CCCCC2)NN)CCS1.
What is the InChIKey of N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide?
The InChIKey is JDGYZSUOJTUTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-14(2)8-9-18(10-11-19-14)13(17-15)16-12-6-4-3-5-7-12/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide?
N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide has a molecular weight of 284.47 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide is sourced from PubChem (CID 107460335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).