1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine

C8H17N3 — CID 134277838

IUPAC1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N(C)/C(N)=N/C(C)C
InChIInChI=1S/C8H17N3/c1-5-6-11(4)8(9)10-7(2)3/h5-7H,1-4H3,(H2,9,10)/b6-5+
InChIKeyPKSZBBDHZMMSMB-AATRIKPKSA-N
MW155.25 g/mol
LogP1.17
Rot. Bonds2

About 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine

1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine (PubChem CID 134277838) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine
PubChem CID134277838
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N(C)/C(N)=N/C(C)C
InChIInChI=1S/C8H17N3/c1-5-6-11(4)8(9)10-7(2)3/h5-7H,1-4H3,(H2,9,10)/b6-5+
InChIKeyPKSZBBDHZMMSMB-AATRIKPKSA-N
XLogP1.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine?
The IUPAC name of 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine (CID 134277838) is 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine.
What is the SMILES notation for 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine?
The canonical SMILES for 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine is C/C=C/N(C)/C(N)=N/C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine?
The InChIKey is PKSZBBDHZMMSMB-AATRIKPKSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-6-11(4)8(9)10-7(2)3/h5-7H,1-4H3,(H2,9,10)/b6-5+.
What are the key properties of 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine?
1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine has a molecular weight of 155.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]guanidine is sourced from PubChem (CID 134277838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).