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

C14H30N4 — CID 109499408

IUPAC3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC(C)(C)N(C)C
InChIInChI=1S/C14H30N4/c1-8-9-10-11-18(7)13(15-4)16-12-14(2,3)17(5)6/h8H,1,9-12H2,2-7H3,(H,15,16)
InChIKeyQXDXOMUQNAIUGL-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.80
Rot. Bonds7

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

3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109499408) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109499408
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC(C)(C)N(C)C
InChIInChI=1S/C14H30N4/c1-8-9-10-11-18(7)13(15-4)16-12-14(2,3)17(5)6/h8H,1,9-12H2,2-7H3,(H,15,16)
InChIKeyQXDXOMUQNAIUGL-UHFFFAOYSA-N
XLogP1.80
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.80
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

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-tert-butyloxan-3-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497838
3-(2-ethylsulfonylethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496093
3-(2-ethoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499097
3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483890
tert-butyl N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]carbamate
CID 109484339
3-(4-ethoxybutyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497993
3-[2-(dimethylamino)-4-methylpentyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496708
1,2-dimethyl-3-[(3-methyloxetan-3-yl)methyl]-1-pent-4-enylguanidine;hydroiodide
CID 109499141
3-(2,2-difluoroethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483768
1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine
CID 109483197

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109499408) is 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCC(C)(C)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is QXDXOMUQNAIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-8-9-10-11-18(7)13(15-4)16-12-14(2,3)17(5)6/h8H,1,9-12H2,2-7H3,(H,15,16).
What are the key properties of 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109499408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).