3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine

C14H27N3O — CID 109499132

IUPAC3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCCOCC1CC1
InChIInChI=1S/C14H27N3O/c1-4-5-6-10-17(3)14(15-2)16-9-11-18-12-13-7-8-13/h4,13H,1,5-12H2,2-3H3,(H,15,16)
InChIKeyCKTBBFGQOCFTMF-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.89
Rot. Bonds9

About 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine

3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109499132) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109499132
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCCOCC1CC1
InChIInChI=1S/C14H27N3O/c1-4-5-6-10-17(3)14(15-2)16-9-11-18-12-13-7-8-13/h4,13H,1,5-12H2,2-3H3,(H,15,16)
InChIKeyCKTBBFGQOCFTMF-UHFFFAOYSA-N
XLogP1.89
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.89
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-(2-ethoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499097
3-(4-ethoxybutyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497993
1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine
CID 109483197
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-1,2-dimethylguanidine;hydroiodide
CID 75514182
1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine;hydroiodide
CID 109483724
1,2-dimethyl-1-pent-4-enyl-3-(4-phenylmethoxybutyl)guanidine
CID 109497077
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-ethylsulfonylethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496093
3-[3-(3,5-dimethoxyphenoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499216
1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 109496114
3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483890

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109499132) is 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCCOCC1CC1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is CKTBBFGQOCFTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-5-6-10-17(3)14(15-2)16-9-11-18-12-13-7-8-13/h4,13H,1,5-12H2,2-3H3,(H,15,16).
What are the key properties of 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 253.39 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109499132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).