N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide

C15H30N4 — CID 110935389

IUPACN'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCN(C(C)C)C2CC2)CC1
InChIInChI=1S/C15H30N4/c1-12(2)19(14-4-5-14)11-8-17-15(16)18-9-6-13(3)7-10-18/h12-14H,4-11H2,1-3H3,(H2,16,17)
InChIKeySQFQFVPRBDVGSP-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.91
Rot. Bonds5

About N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110935389) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110935389
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCN(C(C)C)C2CC2)CC1
InChIInChI=1S/C15H30N4/c1-12(2)19(14-4-5-14)11-8-17-15(16)18-9-6-13(3)7-10-18/h12-14H,4-11H2,1-3H3,(H2,16,17)
InChIKeySQFQFVPRBDVGSP-UHFFFAOYSA-N
XLogP1.91
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.91
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]piperidine-1-carboximidamide
CID 75494021
N'-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919582
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'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
N'-[3-[ethylsulfonyl(methyl)amino]propyl]-4-methylpiperidine-1-carboximidamide
CID 110920035
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423

Frequently Asked Questions

What is the IUPAC name of N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide (CID 110935389) is N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCN(C(C)C)C2CC2)CC1.
What is the InChIKey of N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is SQFQFVPRBDVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-12(2)19(14-4-5-14)11-8-17-15(16)18-9-6-13(3)7-10-18/h12-14H,4-11H2,1-3H3,(H2,16,17).
What are the key properties of N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 266.43 g/mol, XLogP of 1.91, 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]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110935389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).