1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide

C15H33IN4 — CID 111869545

IUPAC1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCCN(CCC)CCCN/C(=N\C)NCC1CC1.I
InChIInChI=1S/C15H32N4.HI/c1-4-10-19(11-5-2)12-6-9-17-15(16-3)18-13-14-7-8-14;/h14H,4-13H2,1-3H3,(H2,16,17,18);1H
InChIKeyMTMBHKVARCGECA-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.69
Rot. Bonds10

About 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide

1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide (PubChem CID 111869545) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
PubChem CID111869545
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCCN(CCC)CCCN/C(=N\C)NCC1CC1.I
InChIInChI=1S/C15H32N4.HI/c1-4-10-19(11-5-2)12-6-9-17-15(16-3)18-13-14-7-8-14;/h14H,4-13H2,1-3H3,(H2,16,17,18);1H
InChIKeyMTMBHKVARCGECA-UHFFFAOYSA-N
XLogP2.69
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-[3-(cyclopropylmethoxy)propyl]-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 111391574
1-(cyclopropylmethyl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111869129
1-(cyclopropylmethyl)-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 111869695
tert-butyl N-[2-[[N-[3-(dipropylamino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884896
1-[3-(cyclopropylmethoxy)propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111391352
1-(cyclopropylmethyl)-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626099
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-(3-ethoxypropyl)-3-[(4-ethylcyclohexyl)methyl]-2-methylguanidine
CID 111222757
1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 110946325
1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
CID 131101788
1-[3-[benzyl(methyl)amino]propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111870458
1-[3-(dipropylamino)propyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530752

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide (CID 111869545) is 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide is CCCN(CCC)CCCN/C(=N\C)NCC1CC1.I.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is MTMBHKVARCGECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-4-10-19(11-5-2)12-6-9-17-15(16-3)18-13-14-7-8-14;/h14H,4-13H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide?
1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111869545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).