N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide

C14H28N4 — CID 104886543

IUPACN-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide
SMILESCC1(C)CCCN(/C(=N/C2CCCC2)NN)CC1
InChIInChI=1S/C14H28N4/c1-14(2)8-5-10-18(11-9-14)13(17-15)16-12-6-3-4-7-12/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyHGNQVPCZKDLJAE-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.26
Rot. Bonds1

About N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide

N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide (PubChem CID 104886543) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide
PubChem CID104886543
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide
SMILESCC1(C)CCCN(/C(=N/C2CCCC2)NN)CC1
InChIInChI=1S/C14H28N4/c1-14(2)8-5-10-18(11-9-14)13(17-15)16-12-6-3-4-7-12/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyHGNQVPCZKDLJAE-UHFFFAOYSA-N
XLogP2.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.26
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

N-amino-N'-cyclohexyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide
CID 107460335
N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide
CID 104883434
N-amino-N'-cyclopentyl-4-cyclopropylpiperazine-1-carboximidamide
CID 104885662
N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 104886953
N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
CID 104884388
N-amino-N',2-dicyclopentylpyrrolidine-1-carboximidamide
CID 104884664
N-amino-N'-cyclohexyl-2-propylpiperidine-1-carboximidamide
CID 104887901
N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide
CID 106828795
N-amino-3,3-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104886315
N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide
CID 81451294
N,N'-dicyclohexylaziridine-1-carboximidamide
CID 566641
N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
CID 104887058

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide (CID 104886543) is N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide is CC1(C)CCCN(/C(=N/C2CCCC2)NN)CC1.
What is the InChIKey of N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide?
The InChIKey is HGNQVPCZKDLJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-14(2)8-5-10-18(11-9-14)13(17-15)16-12-6-3-4-7-12/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide?
N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide has a molecular weight of 252.41 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide is sourced from PubChem (CID 104886543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).