1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine

C14H27N3 — CID 109483009

IUPAC1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine
SMILESC=CCCCCCN(C)/C(=N\C)NC1CC1C
InChIInChI=1S/C14H27N3/c1-5-6-7-8-9-10-17(4)14(15-3)16-13-11-12(13)2/h5,12-13H,1,6-11H2,2-4H3,(H,15,16)
InChIKeyPAYSXJSWWRCVJC-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.65
Rot. Bonds7

About 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine

1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 109483009) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine
PubChem CID109483009
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine
SMILESC=CCCCCCN(C)/C(=N\C)NC1CC1C
InChIInChI=1S/C14H27N3/c1-5-6-7-8-9-10-17(4)14(15-3)16-13-11-12(13)2/h5,12-13H,1,6-11H2,2-4H3,(H,15,16)
InChIKeyPAYSXJSWWRCVJC-UHFFFAOYSA-N
XLogP2.65
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine (CID 109483009) is 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine is C=CCCCCCN(C)/C(=N\C)NC1CC1C.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is PAYSXJSWWRCVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-6-7-8-9-10-17(4)14(15-3)16-13-11-12(13)2/h5,12-13H,1,6-11H2,2-4H3,(H,15,16).
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine?
1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 237.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 109483009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).