3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide

C15H33IN4 — CID 109498071

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCC(C)(C)CN(C)C.I
InChIInChI=1S/C15H32N4.HI/c1-8-9-10-11-19(7)14(16-4)17-12-15(2,3)13-18(5)6;/h8H,1,9-13H2,2-7H3,(H,16,17);1H
InChIKeyBKAMVSCSQPURIV-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.67
Rot. Bonds8

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide

3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109498071) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109498071
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCC(C)(C)CN(C)C.I
InChIInChI=1S/C15H32N4.HI/c1-8-9-10-11-19(7)14(16-4)17-12-15(2,3)13-18(5)6;/h8H,1,9-13H2,2-7H3,(H,16,17);1H
InChIKeyBKAMVSCSQPURIV-UHFFFAOYSA-N
XLogP2.67
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.67
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-[3-(Dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483896
3-[3-(Dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483897
3-[3-(Dimethylamino)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109484288
3-[3-(Dimethylamino)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484289
2-[3-(Dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109484290
2-[3-(Dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109484291
1,2-Dimethyl-1-pent-4-enyl-3-pentylguanidine;hydroiodide
CID 109495986
1,2-Dimethyl-3-(2-methylpropyl)-1-pent-4-enylguanidine;hydroiodide
CID 109495992
1,2-Dimethyl-3-(2-methylpropyl)-1-pent-4-enylguanidine
CID 109495993
3-[3-(Diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109495996
3-[3-(Diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109495997
2-[2-(Dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496032

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide (CID 109498071) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\C)NCC(C)(C)CN(C)C.I.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is BKAMVSCSQPURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-8-9-10-11-19(7)14(16-4)17-12-15(2,3)13-18(5)6;/h8H,1,9-13H2,2-7H3,(H,16,17);1H.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109498071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).