1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine

C10H22N4 — CID 118490285

IUPAC1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)C[C@H](C)N
InChIInChI=1S/C10H22N4/c1-6-7-12-10(13(3)4)14(5)8-9(2)11/h6-7,9H,8,11H2,1-5H3/b7-6+,12-10+/t9-/m0/s1
InChIKeyACQLFSPGRYXVKQ-PDDCQJEQSA-N
MW198.31 g/mol
LogP0.72
Rot. Bonds3

About 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine

1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine (PubChem CID 118490285) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
PubChem CID118490285
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)C[C@H](C)N
InChIInChI=1S/C10H22N4/c1-6-7-12-10(13(3)4)14(5)8-9(2)11/h6-7,9H,8,11H2,1-5H3/b7-6+,12-10+/t9-/m0/s1
InChIKeyACQLFSPGRYXVKQ-PDDCQJEQSA-N
XLogP0.72
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The IUPAC name of 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine (CID 118490285) is 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine is C/C=C/N=C(\N(C)C)N(C)C[C@H](C)N.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The InChIKey is ACQLFSPGRYXVKQ-PDDCQJEQSA-N. The full InChI is InChI=1S/C10H22N4/c1-6-7-12-10(13(3)4)14(5)8-9(2)11/h6-7,9H,8,11H2,1-5H3/b7-6+,12-10+/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine is sourced from PubChem (CID 118490285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).