3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine

C16H34N4 — CID 109496708

IUPAC3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC(CC(C)C)N(C)C
InChIInChI=1S/C16H34N4/c1-8-9-10-11-20(7)16(17-4)18-13-15(19(5)6)12-14(2)3/h8,14-15H,1,9-13H2,2-7H3,(H,17,18)
InChIKeyAKVUFMNEXRIEJF-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.44
Rot. Bonds9

About 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine

3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109496708) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109496708
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC(CC(C)C)N(C)C
InChIInChI=1S/C16H34N4/c1-8-9-10-11-20(7)16(17-4)18-13-15(19(5)6)12-14(2)3/h8,14-15H,1,9-13H2,2-7H3,(H,17,18)
InChIKeyAKVUFMNEXRIEJF-UHFFFAOYSA-N
XLogP2.44
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]-2-methylpropanoate;hydroiodide
CID 109496058
3-[2-[cyclopropyl(methyl)amino]propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499441
3-(2,2-difluoroethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483768
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982962
3-(4,4-dimethylpentyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499166
3-[2-[ethyl(methyl)amino]ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498005
3-(2-ethoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499097
3-(2-ethylsulfonylethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496093
3-[2-[benzyl(methyl)amino]propyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109498256
3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499408
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497405
N-butan-2-yl-3-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]propanamide
CID 109496205

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109496708) is 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCC(CC(C)C)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is AKVUFMNEXRIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-8-9-10-11-20(7)16(17-4)18-13-15(19(5)6)12-14(2)3/h8,14-15H,1,9-13H2,2-7H3,(H,17,18).
What are the key properties of 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 282.48 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109496708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).