3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine

C17H34N4 — CID 109483523

IUPAC3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C
InChIInChI=1S/C17H34N4/c1-6-7-8-9-10-13-21(5)17(18-2)19-14-16(20(3)4)15-11-12-15/h6,15-16H,1,7-14H2,2-5H3,(H,18,19)
InChIKeyWBAZZCMIHZCKGE-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.58
Rot. Bonds10

About 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine

3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine (PubChem CID 109483523) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
PubChem CID109483523
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C
InChIInChI=1S/C17H34N4/c1-6-7-8-9-10-13-21(5)17(18-2)19-14-16(20(3)4)15-11-12-15/h6,15-16H,1,7-14H2,2-5H3,(H,18,19)
InChIKeyWBAZZCMIHZCKGE-UHFFFAOYSA-N
XLogP2.58
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.58
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-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482907
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 109482945
3-Cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109482952
3-Cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482953
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 109483008
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine
CID 109483009
3-(Cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483024
3-(Cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483025
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483062
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483063
3-[(1-Ethylpyrrolidin-2-yl)methyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483205
2-(Cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483274

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The IUPAC name of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine (CID 109483523) is 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The canonical SMILES for 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C.
What is the InChIKey of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The InChIKey is WBAZZCMIHZCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-6-7-8-9-10-13-21(5)17(18-2)19-14-16(20(3)4)15-11-12-15/h6,15-16H,1,7-14H2,2-5H3,(H,18,19).
What are the key properties of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine has a molecular weight of 294.49 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine is sourced from PubChem (CID 109483523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).