1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine

C22H35N5 — CID 111968201

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccnc2ccccc12)NC(C)CCCN(CC)CC
InChIInChI=1S/C22H35N5/c1-5-23-22(26-18(4)11-10-16-27(6-2)7-3)25-17-19-14-15-24-21-13-9-8-12-20(19)21/h8-9,12-15,18H,5-7,10-11,16-17H2,1-4H3,(H2,23,25,26)
InChIKeySXWCNDRQURVZJY-UHFFFAOYSA-N
MW369.56 g/mol
LogP3.80
Rot. Bonds10

About 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine

1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine (PubChem CID 111968201) has the molecular formula C22H35N5 and a molecular weight of 369.56 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine
PubChem CID111968201
Molecular FormulaC22H35N5
Molecular Weight369.56 g/mol
Exact Mass369.29
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccnc2ccccc12)NC(C)CCCN(CC)CC
InChIInChI=1S/C22H35N5/c1-5-23-22(26-18(4)11-10-16-27(6-2)7-3)25-17-19-14-15-24-21-13-9-8-12-20(19)21/h8-9,12-15,18H,5-7,10-11,16-17H2,1-4H3,(H2,23,25,26)
InChIKeySXWCNDRQURVZJY-UHFFFAOYSA-N
XLogP3.80
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 53.80
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

1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 110997823
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 110999054
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 110999885
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111779770
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine
CID 110998329
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 110999102
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(4-methylsulfanylphenyl)methyl]guanidine
CID 110997735
1-[5-(diethylamino)pentan-2-yl]-2-[(2-ethoxy-4-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110997672
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 110998557
1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968322
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110997693
4-[[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide
CID 110997589

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine (CID 111968201) is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine is CCN/C(=N\Cc1ccnc2ccccc12)NC(C)CCCN(CC)CC.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine?
The InChIKey is SXWCNDRQURVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5/c1-5-23-22(26-18(4)11-10-16-27(6-2)7-3)25-17-19-14-15-24-21-13-9-8-12-20(19)21/h8-9,12-15,18H,5-7,10-11,16-17H2,1-4H3,(H2,23,25,26).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine?
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine has a molecular weight of 369.56 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine is sourced from PubChem (CID 111968201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).