1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine

C12H21N3 — CID 99704022

IUPAC1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1(C2CC2)CC1
InChIInChI=1S/C12H21N3/c1-3-8-14-11(13-2)15-9-12(6-7-12)10-4-5-10/h3,10H,1,4-9H2,2H3,(H2,13,14,15)
InChIKeyGGGQQCVGDSTQKB-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.53
Rot. Bonds5

About 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine

1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 99704022) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID99704022
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1(C2CC2)CC1
InChIInChI=1S/C12H21N3/c1-3-8-14-11(13-2)15-9-12(6-7-12)10-4-5-10/h3,10H,1,4-9H2,2H3,(H2,13,14,15)
InChIKeyGGGQQCVGDSTQKB-UHFFFAOYSA-N
XLogP1.53
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine (CID 99704022) is 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC1(C2CC2)CC1.
What is the InChIKey of 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is GGGQQCVGDSTQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-8-14-11(13-2)15-9-12(6-7-12)10-4-5-10/h3,10H,1,4-9H2,2H3,(H2,13,14,15).
What are the key properties of 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine?
1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine has a molecular weight of 207.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 99704022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).