1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide

C9H21IN4 — CID 2730518

IUPAC1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide
SMILESCC(C)(C)N/C(=N/CC1CC1)NN.I
InChIInChI=1S/C9H20N4.HI/c1-9(2,3)12-8(13-10)11-6-7-4-5-7;/h7H,4-6,10H2,1-3H3,(H2,11,12,13);1H
InChIKeyVVUMMOKUOMUFEX-UHFFFAOYSA-N
MW312.20 g/mol
LogP1.22
Rot. Bonds2

About 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide

1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide (PubChem CID 2730518) has the molecular formula C9H21IN4 and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide
PubChem CID2730518
Molecular FormulaC9H21IN4
Molecular Weight312.20 g/mol
Exact Mass312.08
IUPAC Name1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide
SMILESCC(C)(C)N/C(=N/CC1CC1)NN.I
InChIInChI=1S/C9H20N4.HI/c1-9(2,3)12-8(13-10)11-6-7-4-5-7;/h7H,4-6,10H2,1-3H3,(H2,11,12,13);1H
InChIKeyVVUMMOKUOMUFEX-UHFFFAOYSA-N
XLogP1.22
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide (CID 2730518) is 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide is CC(C)(C)N/C(=N/CC1CC1)NN.I.
What is the InChIKey of 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide?
The InChIKey is VVUMMOKUOMUFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4.HI/c1-9(2,3)12-8(13-10)11-6-7-4-5-7;/h7H,4-6,10H2,1-3H3,(H2,11,12,13);1H.
What are the key properties of 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide?
1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide has a molecular weight of 312.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 2730518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).