1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide

C14H26IN5 — CID 111097152

IUPAC1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CCCCNc1ccccn1.I
InChIInChI=1S/C14H25N5.HI/c1-2-3-9-18-14(15)19-12-7-6-11-17-13-8-4-5-10-16-13;/h4-5,8,10H,2-3,6-7,9,11-12H2,1H3,(H,16,17)(H3,15,18,19);1H
InChIKeyLNZZZBCYHSHHID-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.60
Rot. Bonds9

About 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide

1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide (PubChem CID 111097152) has the molecular formula C14H26IN5 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
PubChem CID111097152
Molecular FormulaC14H26IN5
Molecular Weight391.30 g/mol
Exact Mass391.12
IUPAC Name1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CCCCNc1ccccn1.I
InChIInChI=1S/C14H25N5.HI/c1-2-3-9-18-14(15)19-12-7-6-11-17-13-8-4-5-10-16-13;/h4-5,8,10H,2-3,6-7,9,11-12H2,1H3,(H,16,17)(H3,15,18,19);1H
InChIKeyLNZZZBCYHSHHID-UHFFFAOYSA-N
XLogP2.60
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-octyl-1-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111097167
methyl N'-[4-(pyridin-2-ylamino)butyl]carbamimidothioate;hydroiodide
CID 15616781
N-butylpyridin-2-amine
CID 14322668
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine
CID 51131507
1-tert-butyl-3-ethyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 110966441
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
1-ethyl-3-(3-methylbutyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 110978732
4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
CID 110928110
1-(3-phenoxyphenyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111600133

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide?
The IUPAC name of 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide (CID 111097152) is 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide?
The canonical SMILES for 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide is CCCCN/C(N)=N/CCCCNc1ccccn1.I.
What is the InChIKey of 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide?
The InChIKey is LNZZZBCYHSHHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5.HI/c1-2-3-9-18-14(15)19-12-7-6-11-17-13-8-4-5-10-16-13;/h4-5,8,10H,2-3,6-7,9,11-12H2,1H3,(H,16,17)(H3,15,18,19);1H.
What are the key properties of 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide?
1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide is sourced from PubChem (CID 111097152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).