1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine

C19H29N5O — CID 110052308

IUPAC1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCCCN/C(=N\Cc1cccc(N(C)C)n1)NCCc1ccco1
InChIInChI=1S/C19H29N5O/c1-4-5-12-20-19(21-13-11-17-9-7-14-25-17)22-15-16-8-6-10-18(23-16)24(2)3/h6-10,14H,4-5,11-13,15H2,1-3H3,(H2,20,21,22)
InChIKeyYUZBFAUBSINUIJ-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.82
Rot. Bonds9

About 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine

1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 110052308) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID110052308
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCCCN/C(=N\Cc1cccc(N(C)C)n1)NCCc1ccco1
InChIInChI=1S/C19H29N5O/c1-4-5-12-20-19(21-13-11-17-9-7-14-25-17)22-15-16-8-6-10-18(23-16)24(2)3/h6-10,14H,4-5,11-13,15H2,1-3H3,(H2,20,21,22)
InChIKeyYUZBFAUBSINUIJ-UHFFFAOYSA-N
XLogP2.82
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109401245
1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110052679
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110053001
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 84590629
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
CID 86780962
4-[[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111353450
2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 109402645
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(5-methylhexyl)guanidine
CID 109403760
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111516777
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(5-methylhexyl)guanidine;hydroiodide
CID 109403759

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine (CID 110052308) is 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine is CCCCN/C(=N\Cc1cccc(N(C)C)n1)NCCc1ccco1.
What is the InChIKey of 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is YUZBFAUBSINUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-4-5-12-20-19(21-13-11-17-9-7-14-25-17)22-15-16-8-6-10-18(23-16)24(2)3/h6-10,14H,4-5,11-13,15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine?
1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 343.48 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110052308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).