2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine

C10H21N3 — CID 115679576

IUPAC2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(N)=N/CC(C)C
InChIInChI=1S/C10H21N3/c1-4-5-6-7-12-10(11)13-8-9(2)3/h4-5,9H,6-8H2,1-3H3,(H3,11,12,13)/b5-4+
InChIKeyGUKHCZVCYAPNQL-SNAWJCMRSA-N
MW183.30 g/mol
LogP1.51
Rot. Bonds5

About 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine

2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine (PubChem CID 115679576) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine
PubChem CID115679576
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(N)=N/CC(C)C
InChIInChI=1S/C10H21N3/c1-4-5-6-7-12-10(11)13-8-9(2)3/h4-5,9H,6-8H2,1-3H3,(H3,11,12,13)/b5-4+
InChIKeyGUKHCZVCYAPNQL-SNAWJCMRSA-N
XLogP1.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.51
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-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111986501
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111986505
N-[(E)-4-methylpent-2-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 60052226
1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
CID 90337090
1-But-3-enyl-2-methylguanidine
CID 116035410
N'-methyl-N-pent-3-enylmethanimidamide
CID 123321967
N'-methyl-N-[(Z)-pent-3-enyl]methanimidamide
CID 146539364
N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide
CID 166907437
1-[(E)-7-(diaminomethylideneamino)hept-4-enyl]guanidine
CID 176535357
1-[7-(Diaminomethylideneamino)hept-4-enyl]guanidine
CID 176537412
2-(2-Methylpropyl)-1-prop-2-enylguanidine
CID 62361986

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine (CID 115679576) is 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine is C/C=C/CCN/C(N)=N/CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine?
The InChIKey is GUKHCZVCYAPNQL-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-5-6-7-12-10(11)13-8-9(2)3/h4-5,9H,6-8H2,1-3H3,(H3,11,12,13)/b5-4+.
What are the key properties of 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine?
2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine has a molecular weight of 183.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[(E)-pent-3-enyl]guanidine is sourced from PubChem (CID 115679576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).