1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine

C16H29N5 — CID 134111374

IUPAC1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine
SMILESCC(C)(C)C/N=C(\NCC(C)(C)CN)Nc1cccnc1
InChIInChI=1S/C16H29N5/c1-15(2,3)11-19-14(20-12-16(4,5)10-17)21-13-7-6-8-18-9-13/h6-9H,10-12,17H2,1-5H3,(H2,19,20,21)
InChIKeyZXRGXZVMURWZQL-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.47
Rot. Bonds5

About 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine

1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine (PubChem CID 134111374) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine
PubChem CID134111374
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine
SMILESCC(C)(C)C/N=C(\NCC(C)(C)CN)Nc1cccnc1
InChIInChI=1S/C16H29N5/c1-15(2,3)11-19-14(20-12-16(4,5)10-17)21-13-7-6-8-18-9-13/h6-9H,10-12,17H2,1-5H3,(H2,19,20,21)
InChIKeyZXRGXZVMURWZQL-UHFFFAOYSA-N
XLogP2.47
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine
CID 134088933
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide
CID 134088937
N-[2,2-dimethyl-3-[(N'-nitro-N-pyridin-3-ylcarbamimidoyl)amino]propyl]-4-phenylbenzamide
CID 173218723
1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine
CID 116511413
1-hydroxy-2-pentan-3-yl-3-pyridin-3-ylguanidine
CID 3050774
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
1-cyano-2-(2-methylpentan-2-yl)-3-pyridin-3-ylguanidine
CID 3042788
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
CID 70456930
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine (CID 134111374) is 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine is CC(C)(C)C/N=C(\NCC(C)(C)CN)Nc1cccnc1.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine?
The InChIKey is ZXRGXZVMURWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-15(2,3)11-19-14(20-12-16(4,5)10-17)21-13-7-6-8-18-9-13/h6-9H,10-12,17H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine?
1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine has a molecular weight of 291.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine is sourced from PubChem (CID 134111374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).