N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide

C14H21N3 — CID 82753773

IUPACN'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide
SMILESCCc1cccnc1C/N=C(\N)C1CCCC1
InChIInChI=1S/C14H21N3/c1-2-11-8-5-9-16-13(11)10-17-14(15)12-6-3-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H2,15,17)
InChIKeyXUWKNGSHRUUSLX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds4

About N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide

N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide (PubChem CID 82753773) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide
PubChem CID82753773
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide
SMILESCCc1cccnc1C/N=C(\N)C1CCCC1
InChIInChI=1S/C14H21N3/c1-2-11-8-5-9-16-13(11)10-17-14(15)12-6-3-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H2,15,17)
InChIKeyXUWKNGSHRUUSLX-UHFFFAOYSA-N
XLogP2.69
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
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

1-ethyl-2-[(3-ethyl-2-pyridinyl)methyl]guanidine
CID 82739158
1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-propan-2-ylguanidine
CID 116516181
N'-(2,6-diethylphenyl)cyclohexanecarboximidamide
CID 63174092
N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
CID 63173633
2,3-diethylpyridine
CID 14747123
1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine
CID 116516182
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 82732011
N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide
CID 63177246
1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802358
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 113483486

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide (CID 82753773) is N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide is CCc1cccnc1C/N=C(\N)C1CCCC1.
What is the InChIKey of N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide?
The InChIKey is XUWKNGSHRUUSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-11-8-5-9-16-13(11)10-17-14(15)12-6-3-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H2,15,17).
What are the key properties of N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide?
N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide has a molecular weight of 231.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide is sourced from PubChem (CID 82753773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).