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

C17H35IN4 — CID 109483522

IUPAC3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C.I
InChIInChI=1S/C17H34N4.HI/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);1H
InChIKeyGZTUUKHOXKDPPQ-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.20
Rot. Bonds10

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

3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483522) has the molecular formula C17H35IN4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
PubChem CID109483522
Molecular FormulaC17H35IN4
Molecular Weight422.40 g/mol
Exact Mass422.19
IUPAC Name3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C.I
InChIInChI=1S/C17H34N4.HI/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);1H
InChIKeyGZTUUKHOXKDPPQ-UHFFFAOYSA-N
XLogP3.20
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.20
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': 'iodine', '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;hydroiodide
CID 109482906
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109482944
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;hydroiodide
CID 109483204
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;hydroiodide?
The IUPAC name of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (CID 109483522) is 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C.I.
What is the InChIKey of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The InChIKey is GZTUUKHOXKDPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4.HI/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);1H.
What are the key properties of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide has a molecular weight of 422.40 g/mol, XLogP of 3.20, 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;hydroiodide is sourced from PubChem (CID 109483522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).