N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide

C14H28N4 — CID 75494021

IUPACN'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide
SMILESCC(C)N(CC/N=C(\N)N1CCCCC1)C1CC1
InChIInChI=1S/C14H28N4/c1-12(2)18(13-6-7-13)11-8-16-14(15)17-9-4-3-5-10-17/h12-13H,3-11H2,1-2H3,(H2,15,16)
InChIKeyHCGGOSDVKQJXSZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.66
Rot. Bonds5

About N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide

N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide (PubChem CID 75494021) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide
PubChem CID75494021
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide
SMILESCC(C)N(CC/N=C(\N)N1CCCCC1)C1CC1
InChIInChI=1S/C14H28N4/c1-12(2)18(13-6-7-13)11-8-16-14(15)17-9-4-3-5-10-17/h12-13H,3-11H2,1-2H3,(H2,15,16)
InChIKeyHCGGOSDVKQJXSZ-UHFFFAOYSA-N
XLogP1.66
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110935389
tert-butyl 4-[N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111099187
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111099199
N'-[4-[methyl(propan-2-yl)amino]butyl]azepane-1-carboximidamide;hydroiodide
CID 86779285
N'-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919582
N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
CID 75495270
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[2-[cyclohexyl(methyl)amino]ethyl]morpholine-4-carboximidamide
CID 111057268
N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 59289522
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415

Frequently Asked Questions

What is the IUPAC name of N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide (CID 75494021) is N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide is CC(C)N(CC/N=C(\N)N1CCCCC1)C1CC1.
What is the InChIKey of N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide?
The InChIKey is HCGGOSDVKQJXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12(2)18(13-6-7-13)11-8-16-14(15)17-9-4-3-5-10-17/h12-13H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide?
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide has a molecular weight of 252.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 75494021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).