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

C10H22N4 — CID 118489715

IUPAC1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)CCCN
InChIInChI=1S/C10H22N4/c1-5-8-12-10(13(2)3)14(4)9-6-7-11/h5,8H,6-7,9,11H2,1-4H3/b8-5+,12-10+
InChIKeyPFTKICWRZIPNRG-JPFJJCCVSA-N
MW198.31 g/mol
LogP0.72
Rot. Bonds4

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

1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine (PubChem CID 118489715) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
PubChem CID118489715
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
SMILESC/C=C/N=C(\N(C)C)N(C)CCCN
InChIInChI=1S/C10H22N4/c1-5-8-12-10(13(2)3)14(4)9-6-7-11/h5,8H,6-7,9,11H2,1-4H3/b8-5+,12-10+
InChIKeyPFTKICWRZIPNRG-JPFJJCCVSA-N
XLogP0.72
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The IUPAC name of 1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine (CID 118489715) is 1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine.
What is the SMILES notation for 1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The canonical SMILES for 1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine is C/C=C/N=C(\N(C)C)N(C)CCCN.
What is the InChIKey of 1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
The InChIKey is PFTKICWRZIPNRG-JPFJJCCVSA-N. The full InChI is InChI=1S/C10H22N4/c1-5-8-12-10(13(2)3)14(4)9-6-7-11/h5,8H,6-7,9,11H2,1-4H3/b8-5+,12-10+.
What are the key properties of 1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine?
1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine is sourced from PubChem (CID 118489715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).