N'-amino-2,2-dimethylcyclohexane-1-carboximidamide

C9H19N3 — CID 107183066

IUPACN'-amino-2,2-dimethylcyclohexane-1-carboximidamide
SMILESCC1(C)CCCCC1C(N)=NN
InChIInChI=1S/C9H19N3/c1-9(2)6-4-3-5-7(9)8(10)12-11/h7H,3-6,11H2,1-2H3,(H2,10,12)
InChIKeyCSYGKXAPNIXTEB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.43
Rot. Bonds1

About N'-amino-2,2-dimethylcyclohexane-1-carboximidamide

N'-amino-2,2-dimethylcyclohexane-1-carboximidamide (PubChem CID 107183066) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-amino-2,2-dimethylcyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-2,2-dimethylcyclohexane-1-carboximidamide
PubChem CID107183066
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-amino-2,2-dimethylcyclohexane-1-carboximidamide
SMILESCC1(C)CCCCC1C(N)=NN
InChIInChI=1S/C9H19N3/c1-9(2)6-4-3-5-7(9)8(10)12-11/h7H,3-6,11H2,1-2H3,(H2,10,12)
InChIKeyCSYGKXAPNIXTEB-UHFFFAOYSA-N
XLogP1.43
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
cyclopentyl-(2,2-dimethylcyclohexyl)methanone
CID 107186605
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107182731
methanol;1,1,2-trimethylcyclohexane
CID 70292509
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180286
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107182819
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
N'-(2,2-dimethylcyclopentyl)cyclopentanecarboximidamide
CID 79872513
2,2-dimethylcyclohexan-1-ol
CID 557637

Frequently Asked Questions

What is the IUPAC name of N'-amino-2,2-dimethylcyclohexane-1-carboximidamide?
The IUPAC name of N'-amino-2,2-dimethylcyclohexane-1-carboximidamide (CID 107183066) is N'-amino-2,2-dimethylcyclohexane-1-carboximidamide.
What is the SMILES notation for N'-amino-2,2-dimethylcyclohexane-1-carboximidamide?
The canonical SMILES for N'-amino-2,2-dimethylcyclohexane-1-carboximidamide is CC1(C)CCCCC1C(N)=NN.
What is the InChIKey of N'-amino-2,2-dimethylcyclohexane-1-carboximidamide?
The InChIKey is CSYGKXAPNIXTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2)6-4-3-5-7(9)8(10)12-11/h7H,3-6,11H2,1-2H3,(H2,10,12).
What are the key properties of N'-amino-2,2-dimethylcyclohexane-1-carboximidamide?
N'-amino-2,2-dimethylcyclohexane-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2,2-dimethylcyclohexane-1-carboximidamide is sourced from PubChem (CID 107183066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).