2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine

C9H19N3 — CID 115679575

IUPAC2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine
SMILESC/C=C/CC/N=C(\N)NC(C)C
InChIInChI=1S/C9H19N3/c1-4-5-6-7-11-9(10)12-8(2)3/h4-5,8H,6-7H2,1-3H3,(H3,10,11,12)/b5-4+
InChIKeyPFSNJBNNMLHMGG-SNAWJCMRSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds4

About 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine

2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine (PubChem CID 115679575) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine
PubChem CID115679575
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine
SMILESC/C=C/CC/N=C(\N)NC(C)C
InChIInChI=1S/C9H19N3/c1-4-5-6-7-11-9(10)12-8(2)3/h4-5,8H,6-7H2,1-3H3,(H3,10,11,12)/b5-4+
InChIKeyPFSNJBNNMLHMGG-SNAWJCMRSA-N
XLogP1.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

1-Cyclopent-3-en-1-yl-3-ethyl-2-(3-fluoropropyl)guanidine
CID 109771081
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
CID 90337090
2-Methyl-1-pent-4-en-2-ylguanidine
CID 115769278
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
1,1,2-Trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
CID 123410965
N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide
CID 134350120
4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine
CID 137103485
N'-but-3-en-2-yl-N-propan-2-ylmethanimidamide
CID 155371555
N-[(Z)-hex-3-en-2-yl]-N'-methylmethanimidamide
CID 156048566
1-[(E)-pent-2-enyl]-N-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 169970166

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine (CID 115679575) is 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine is C/C=C/CC/N=C(\N)NC(C)C.
What is the InChIKey of 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine?
The InChIKey is PFSNJBNNMLHMGG-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-5-6-7-11-9(10)12-8(2)3/h4-5,8H,6-7H2,1-3H3,(H3,10,11,12)/b5-4+.
What are the key properties of 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine?
2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine has a molecular weight of 169.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-3-enyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 115679575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).