2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide

C17H28N4 — CID 114769116

IUPAC2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCC(C)C)C2CCCC2)c1
InChIInChI=1S/C17H28N4/c1-12(2)8-9-21(15-6-4-5-7-15)16-11-14(17(18)19)10-13(3)20-16/h10-12,15H,4-9H2,1-3H3,(H3,18,19)
InChIKeyARDBTEWCFCDKIA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.47
Rot. Bonds6

About 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide

2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide (PubChem CID 114769116) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
PubChem CID114769116
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCC(C)C)C2CCCC2)c1
InChIInChI=1S/C17H28N4/c1-12(2)8-9-21(15-6-4-5-7-15)16-11-14(17(18)19)10-13(3)20-16/h10-12,15H,4-9H2,1-3H3,(H3,18,19)
InChIKeyARDBTEWCFCDKIA-UHFFFAOYSA-N
XLogP3.47
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767474
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550614
2-[2-methoxyethyl(2-methylpropyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768958
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 114768847
2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide
CID 107550615
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768951
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide
CID 114768874
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960192

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide (CID 114769116) is 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CCC(C)C)C2CCCC2)c1.
What is the InChIKey of 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide?
The InChIKey is ARDBTEWCFCDKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-12(2)8-9-21(15-6-4-5-7-15)16-11-14(17(18)19)10-13(3)20-16/h10-12,15H,4-9H2,1-3H3,(H3,18,19).
What are the key properties of 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide?
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide has a molecular weight of 288.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114769116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).