1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide

C14H33IN4 — CID 110935038

IUPAC1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide
SMILESCCCN(CCC)CCC/N=C(\N)NC(C)CC.I
InChIInChI=1S/C14H32N4.HI/c1-5-10-18(11-6-2)12-8-9-16-14(15)17-13(4)7-3;/h13H,5-12H2,1-4H3,(H3,15,16,17);1H
InChIKeyCRYPUDXCEABMKA-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.82
Rot. Bonds10

About 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide

1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide (PubChem CID 110935038) has the molecular formula C14H33IN4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide
PubChem CID110935038
Molecular FormulaC14H33IN4
Molecular Weight384.35 g/mol
Exact Mass384.17
IUPAC Name1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide
SMILESCCCN(CCC)CCC/N=C(\N)NC(C)CC.I
InChIInChI=1S/C14H32N4.HI/c1-5-10-18(11-6-2)12-8-9-16-14(15)17-13(4)7-3;/h13H,5-12H2,1-4H3,(H3,15,16,17);1H
InChIKeyCRYPUDXCEABMKA-UHFFFAOYSA-N
XLogP2.82
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.82
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

2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
CID 111077417
2-[2-[ethyl(propyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111600579
2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111600581
1-butan-2-yl-2-(6-methylsulfanylhexyl)guanidine
CID 110029262
2-[4-(diethylamino)butyl]-1-propan-2-ylguanidine;hydroiodide
CID 111059974
1-butan-2-yl-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 110920553
1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 110946325
3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110919216
1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
CID 111117681
1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 110927047
1-butan-2-yl-2-(2-tert-butylsulfonylethyl)guanidine;hydroiodide
CID 111123497
N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide
CID 166723390

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide (CID 110935038) is 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide is CCCN(CCC)CCC/N=C(\N)NC(C)CC.I.
What is the InChIKey of 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide?
The InChIKey is CRYPUDXCEABMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4.HI/c1-5-10-18(11-6-2)12-8-9-16-14(15)17-13(4)7-3;/h13H,5-12H2,1-4H3,(H3,15,16,17);1H.
What are the key properties of 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide?
1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide has a molecular weight of 384.35 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110935038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).