2-(pentan-2-ylamino)guanidine;hydroiodide

C6H17IN4 — CID 86590625

IUPAC2-(pentan-2-ylamino)guanidine;hydroiodide
SMILESCCCC(C)NN=C(N)N.I
InChIInChI=1S/C6H16N4.HI/c1-3-4-5(2)9-10-6(7)8;/h5,9H,3-4H2,1-2H3,(H4,7,8,10);1H
InChIKeyVQEANCBKMNLLJJ-UHFFFAOYSA-N
MW272.13 g/mol
LogP0.57
Rot. Bonds4

About 2-(pentan-2-ylamino)guanidine;hydroiodide

2-(pentan-2-ylamino)guanidine;hydroiodide (PubChem CID 86590625) has the molecular formula C6H17IN4 and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-(pentan-2-ylamino)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(pentan-2-ylamino)guanidine;hydroiodide
PubChem CID86590625
Molecular FormulaC6H17IN4
Molecular Weight272.13 g/mol
Exact Mass272.05
IUPAC Name2-(pentan-2-ylamino)guanidine;hydroiodide
SMILESCCCC(C)NN=C(N)N.I
InChIInChI=1S/C6H16N4.HI/c1-3-4-5(2)9-10-6(7)8;/h5,9H,3-4H2,1-2H3,(H4,7,8,10);1H
InChIKeyVQEANCBKMNLLJJ-UHFFFAOYSA-N
XLogP0.57
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-pentan-2-yl]guanidine
CID 94416084
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
N'-pentan-2-ylpropanediamide
CID 88934201
1-N'-pentan-2-ylethane-1,1-diamine
CID 147485734
2-bromo-N-pentan-2-ylacetamide
CID 54179178
N-methylpentan-2-amine;hydrochloride
CID 42919600
(2R)-N-chloropentan-2-amine
CID 88575991
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
(2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine
CID 172961603
2-(2-propylpentyl)guanidine
CID 174332322
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-2-ylamino)guanidine;hydroiodide?
The IUPAC name of 2-(pentan-2-ylamino)guanidine;hydroiodide (CID 86590625) is 2-(pentan-2-ylamino)guanidine;hydroiodide.
What is the SMILES notation for 2-(pentan-2-ylamino)guanidine;hydroiodide?
The canonical SMILES for 2-(pentan-2-ylamino)guanidine;hydroiodide is CCCC(C)NN=C(N)N.I.
What is the InChIKey of 2-(pentan-2-ylamino)guanidine;hydroiodide?
The InChIKey is VQEANCBKMNLLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4.HI/c1-3-4-5(2)9-10-6(7)8;/h5,9H,3-4H2,1-2H3,(H4,7,8,10);1H.
What are the key properties of 2-(pentan-2-ylamino)guanidine;hydroiodide?
2-(pentan-2-ylamino)guanidine;hydroiodide has a molecular weight of 272.13 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-2-ylamino)guanidine;hydroiodide is sourced from PubChem (CID 86590625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).