trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide

C10H18IN3O — CID 134181669

IUPACtrans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H](N)C(/C=N/I)C1
InChIInChI=1S/C10H18IN3O/c1-14(2)10(15)7-3-4-9(12)8(5-7)6-13-11/h6-9H,3-5,12H2,1-2H3/b13-6+/t7-,8?,9-/m0/s1
InChIKeyDSULRJDLMXAYNI-QRRDYAQKSA-N
MW323.18 g/mol
LogP1.24
Rot. Bonds2

About trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide

trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 134181669) has the molecular formula C10H18IN3O and a molecular weight of 323.18 g/mol. Its IUPAC name is trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID134181669
Molecular FormulaC10H18IN3O
Molecular Weight323.18 g/mol
Exact Mass323.05
IUPAC Nametrans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H](N)C(/C=N/I)C1
InChIInChI=1S/C10H18IN3O/c1-14(2)10(15)7-3-4-9(12)8(5-7)6-13-11/h6-9H,3-5,12H2,1-2H3/b13-6+/t7-,8?,9-/m0/s1
InChIKeyDSULRJDLMXAYNI-QRRDYAQKSA-N
XLogP1.24
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
CID 170648409
(1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide
CID 135178318
tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 46913549
3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide
CID 175412599
3-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 83618379
(1S,3R,4R)-4-amino-3-(2,2-dimethylpropanoylamino)-N,N-dimethylcyclohexane-1-carboxamide;oxalic acid;hydrate
CID 56596711
N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide
CID 57258443
N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide
CID 71442109
N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 12518171
(1S,3R,4S)-4-azido-N,N,3-trimethylcyclohexane-1-carboxamide
CID 118565917
2-[(4-amino-3-chlorocyclohexanecarbonyl)-methylamino]acetic acid
CID 134465894
N,N-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxamide
CID 170356993

Frequently Asked Questions

What is the IUPAC name of trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide (CID 134181669) is trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)[C@H]1CC[C@H](N)C(/C=N/I)C1.
What is the InChIKey of trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is DSULRJDLMXAYNI-QRRDYAQKSA-N. The full InChI is InChI=1S/C10H18IN3O/c1-14(2)10(15)7-3-4-9(12)8(5-7)6-13-11/h6-9H,3-5,12H2,1-2H3/b13-6+/t7-,8?,9-/m0/s1.
What are the key properties of trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide?
trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4S)-4-amino-3-[(E)-iodoiminomethyl]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 134181669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).