2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine

C8H16N4 — CID 77054142

IUPAC2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
SMILESNN=C(N)N(CC1CC1)C1CC1
InChIInChI=1S/C8H16N4/c9-8(11-10)12(7-3-4-7)5-6-1-2-6/h6-7H,1-5,10H2,(H2,9,11)
InChIKeyLNNMZKFOKIPSBV-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.05
Rot. Bonds3

About 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine

2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine (PubChem CID 77054142) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
PubChem CID77054142
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
SMILESNN=C(N)N(CC1CC1)C1CC1
InChIInChI=1S/C8H16N4/c9-8(11-10)12(7-3-4-7)5-6-1-2-6/h6-7H,1-5,10H2,(H2,9,11)
InChIKeyLNNMZKFOKIPSBV-UHFFFAOYSA-N
XLogP0.05
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine?
The IUPAC name of 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine (CID 77054142) is 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine.
What is the SMILES notation for 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine?
The canonical SMILES for 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine is NN=C(N)N(CC1CC1)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine?
The InChIKey is LNNMZKFOKIPSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c9-8(11-10)12(7-3-4-7)5-6-1-2-6/h6-7H,1-5,10H2,(H2,9,11).
What are the key properties of 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine?
2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine has a molecular weight of 168.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine is sourced from PubChem (CID 77054142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).