N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide

C13H25N3 — CID 111435851

IUPACN'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCCC2CC2)CC1
InChIInChI=1S/C13H25N3/c1-11-6-9-16(10-7-11)13(14)15-8-2-3-12-4-5-12/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyDTWPFUYKAYRUJA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.22
Rot. Bonds4

About N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide

N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 111435851) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
PubChem CID111435851
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCCC2CC2)CC1
InChIInChI=1S/C13H25N3/c1-11-6-9-16(10-7-11)13(14)15-8-2-3-12-4-5-12/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyDTWPFUYKAYRUJA-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide
CID 110033267
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 111752905
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide (CID 111435851) is N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCCC2CC2)CC1.
What is the InChIKey of N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is DTWPFUYKAYRUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11-6-9-16(10-7-11)13(14)15-8-2-3-12-4-5-12/h11-12H,2-10H2,1H3,(H2,14,15).
What are the key properties of N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide?
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 223.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111435851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).