1-amino-1-(2-methylpropyl)guanidine

C5H14N4 — CID 141113100

IUPAC1-amino-1-(2-methylpropyl)guanidine
SMILES[H]/N=C(\N)N(N)CC(C)C
InChIInChI=1S/C5H14N4/c1-4(2)3-9(8)5(6)7/h4H,3,8H2,1-2H3,(H3,6,7)
InChIKeyNBOFWQYCTXJTFP-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.29
Rot. Bonds2

About 1-amino-1-(2-methylpropyl)guanidine

1-amino-1-(2-methylpropyl)guanidine (PubChem CID 141113100) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-amino-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-1-(2-methylpropyl)guanidine
PubChem CID141113100
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name1-amino-1-(2-methylpropyl)guanidine
SMILES[H]/N=C(\N)N(N)CC(C)C
InChIInChI=1S/C5H14N4/c1-4(2)3-9(8)5(6)7/h4H,3,8H2,1-2H3,(H3,6,7)
InChIKeyNBOFWQYCTXJTFP-UHFFFAOYSA-N
XLogP-0.29
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.29
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Amino-ethylguanidine
CID 19819531
Pentylcarbazimidamide
CID 53420873
1-Amino-1-propylguanidine
CID 19879838
1-Amino-1-[3-(dimethylamino)propyl]guanidine
CID 21620355
1-Amino-1-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 23055026
1-Amino-1-propan-2-ylguanidine
CID 86084669
1-Amino-1-propylguanidine;hydrochloride
CID 86084681
1-Amino-1-butylguanidine
CID 88441626
1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine
CID 88621459
1,2,3-Triamino-1-propylguanidine
CID 89362319
1-Amino-3-(diaminomethylidene)-1-propylguanidine
CID 89815659
1-Amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane
CID 144561806

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-1-(2-methylpropyl)guanidine (CID 141113100) is 1-amino-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-1-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-1-(2-methylpropyl)guanidine is [H]/N=C(\N)N(N)CC(C)C.
What is the InChIKey of 1-amino-1-(2-methylpropyl)guanidine?
The InChIKey is NBOFWQYCTXJTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c1-4(2)3-9(8)5(6)7/h4H,3,8H2,1-2H3,(H3,6,7).
What are the key properties of 1-amino-1-(2-methylpropyl)guanidine?
1-amino-1-(2-methylpropyl)guanidine has a molecular weight of 130.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 141113100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).